24868313
  -OEChem-05092414322D

 48 51  0     0  0  0  0  0  0999 V2000
    8.1962    2.6555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    2.6622    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0602    3.1588    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6995    1.7914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6928    3.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144   -0.4033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    3.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    2.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   -0.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631   -1.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232   -2.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1464   -0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473   -2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950   -1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1273   -3.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3272   -3.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2232   -3.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740   -0.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.0233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740    3.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    3.9821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535    0.1967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.4642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8176   -2.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5283   -2.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5470   -0.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6642   -3.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7855   -3.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2184   -4.6021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4 18  2  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 24  1  0  0  0  0
 21 28  2  0  0  0  0
 22 26  1  0  0  0  0
 22 36  1  0  0  0  0
 23 27  1  0  0  0  0
 23 37  1  0  0  0  0
 24 29  1  0  0  0  0
 24 31  2  0  0  0  0
 25 30  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 32  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  2  0  0  0  0
 29 44  1  0  0  0  0
 30 45  1  0  0  0  0
 31 33  1  0  0  0  0
 31 46  1  0  0  0  0
 32 33  2  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  CHG  2   2   1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24868313

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
861

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OCBAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAHgQQAAAADAyB2AAwwcLAAAKIAqRSQHDCAEAlAgAIiB0AZMgIIHrAlZGEIYxgkADIyccdiMCOkACAwCASAQCgAQWAQCQCAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;1-amino-4-(1-naphthylamino)-9,10-dioxo-anthracene-2-sulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;1-amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;1-amino-4-(naphthalen-1-ylamino)-9,10-dioxoanthracene-2-sulfonate

> <PUBCHEM_IUPAC_NAME>
sodium;1-amino-4-(naphthalen-1-ylamino)-9,10-dioxoanthracene-2-sulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;1-azanyl-4-(naphthalen-1-ylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;1-amino-9,10-diketo-4-(1-naphthylamino)anthracene-2-sulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H16N2O5S.Na/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27;/h1-12,26H,25H2,(H,29,30,31);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
BLOBABILSRPNHR-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
466.05993704

> <PUBCHEM_MOLECULAR_FORMULA>
C24H15N2NaO5S

> <PUBCHEM_MOLECULAR_WEIGHT>
466.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
138

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
466.05993704

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
12

> <PUBCHEM_NONSTANDARDBOND>
2  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  13  8
12  19  8
13  14  8
14  19  8
16  17  8
16  22  8
17  23  8
20  21  8
20  25  8
21  24  8
21  28  8
22  26  8
23  27  8
24  29  8
24  31  8
25  30  8
26  27  8
28  32  8
29  30  8
31  33  8
32  33  8

$$$$