69676923
  -OEChem-05142413582D

 65 67  0     1  0  0  0  0  0999 V2000
    5.0053    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8713    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1392    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    8.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    8.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427    8.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6822    8.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    5.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5194    8.8618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075    8.8082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1854    4.7495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5194    4.7064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    7.3116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.2841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0678    7.2841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9338    5.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    6.2841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1738    5.7495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7998    7.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    7.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6938    5.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738    7.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    6.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5998    6.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    7.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6938    7.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5998    7.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    5.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3252    4.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0572    4.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    7.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    6.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    7.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3796    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6477    4.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0053    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0743    5.4341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353    5.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3323    5.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7933    5.4341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    5.4343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    5.2797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0874    5.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693    8.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090    4.7728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919    3.9233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    3.7062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7534    3.7191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5976    3.9558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609    4.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334    8.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2155    9.1349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0105    5.9295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0105    7.6387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333    6.6916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0528    9.1780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0634    3.6631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9129    3.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958    4.7298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    4.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1072    3.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9515    3.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0053    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0  0  0  0
  2 37  1  0  0  0  0
  3 37  1  0  0  0  0
 15  4  1  6  0  0  0
  4 45  1  0  0  0  0
  5 20  2  0  0  0  0
  6 22  1  0  0  0  0
  6 52  1  0  0  0  0
  7 26  1  0  0  0  0
  7 53  1  0  0  0  0
  8 23  2  0  0  0  0
  9 31  1  0  0  0  0
  9 58  1  0  0  0  0
 10 32  2  0  0  0  0
 18 11  1  6  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 28  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 32  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  6  0  0  0
 15 20  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  6  0  0  0
 18 23  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 21 24  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 27 31  2  0  0  0  0
 28 33  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 34  1  0  0  0  0
 33 34  2  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69676923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
979

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAGAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgIQCAAADWzBmMQyxoNAAgCIAqVSUAKCAAAhIgAIiAHObMgJJz7KkLOEcAhn4BFJ2Qe+zvCugEABQAAaAADAgAaAADQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;chloroform

> <PUBCHEM_IUPAC_CAS_NAME>
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;chloroform

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>S</I>,4<I>a</I><I>S</I>,5<I>a</I><I>R</I>,12<I>a</I><I>R</I>)-4,7-bis(dimethylamino)-1,10,11,12<I>a</I>-tetrahydroxy-3,12-dioxo-4<I>a</I>,5,5<I>a</I>,6-tetrahydro-4<I>H</I>-tetracene-2-carboxamide;chloroform

> <PUBCHEM_IUPAC_NAME>
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;chloroform

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;tris(chloranyl)methane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-diketo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;chloroform

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H27N3O7.CHCl3/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;2-1(3)4/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1

> <PUBCHEM_IUPAC_INCHIKEY>
RDNYLFYSERGGFD-VQAITOIOSA-N

> <PUBCHEM_EXACT_MASS>
575.099283

> <PUBCHEM_MOLECULAR_FORMULA>
C24H28Cl3N3O7

> <PUBCHEM_MOLECULAR_WEIGHT>
576.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.C(Cl)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.C(Cl)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
165

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
575.099283

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
18  11  6
14  38  6
17  41  6
24  27  8
24  28  8
27  31  8
28  33  8
31  34  8
33  34  8
15  4  6

$$$$