23722700
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-1
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255
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5.5321
4.666
5.5321
4.5321
6.5321
6.3981
5.5321
4.666
6.3981
6.3981
5.5321
5.5321
4.666
4.666
7.292
7.292
3.8
4.666
3.8
8.1981
8.1981
5.5321
2.9061
4.666
2.9061
5.5321
2
2
4.1291
4.1291
7.2849
7.2849
6.069
8.7338
8.7338
2.9132
4.666
2.9132
6.069
1.4643
1.4643
-3.0173
-4.5173
-4.0173
-3.0173
-3.0173
2.4827
0.9827
1.4827
-1.5173
-0.5173
-2.0173
-0.0173
-1.5173
-0.5173
-2.052
0.0173
2.9827
2.4827
3.9827
-1.5381
-0.4965
2.9827
2.448
4.4827
4.5173
3.9827
2.9618
4.0035
-1.8273
-0.2073
-2.672
0.6373
1.2927
-1.8502
-0.1844
1.828
5.1027
5.1373
4.2927
2.6498
4.3156
1
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
746
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07B38204000000000000000000000000000000000003060C1000000000000C15400001E04180000000C0C81D80030C1C0620002A803A4724070D204402002001888192064D80820B280959180200060980008C9871888808E800400C00016000000080180002C0000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;4-[2-(2-oxo-1-naphthylidene)hydrazino]naphthalene-1-sulfonate
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;4-[2-(2-oxo-1-naphthalenylidene)hydrazinyl]-1-naphthalenesulfonate
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;4-[2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;4-[N'-(2-keto-1-naphthylidene)hydrazino]naphthalene-1-sulfonate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C20H14N2O4S.Na/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17;/h1-12,21H,(H,24,25,26);/q;+1/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
YCRBPWIFISBYGJ-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
400.049372
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C20H13N2NaO4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
400.382989
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].[Na+]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].[Na+]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
107
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
400.049372
28
0
0
0
1
0
1
0
2
4