2-[2-[1,8-Dihydroxy-7-[2-(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]benzoic acid
Basic information
- CAS
20650-43-5- Standard SMILES
O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3O)c(O)c2c1O- InChIKey
OTGDXIMKHPJONE-UHFFFAOYSA-N- Molecular formula
- C23H15N5O16S3
- Average molar mass
- 713.6 g/mol
- Monoisotopic mass
- 712.96759293
Names & identifiers
- Preferred name
- 2-[2-[1,8-Dihydroxy-7-[2-(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]benzoic acid
- IUPAC
- 2-[[1,8-dihydroxy-7-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]-3,6-disulfonaphthalen-2-yl]diazenyl]benzoic acid
- English name
- Benzoic acid,2-[(1,8-dihydroxy-)-[(2-hydroxy-5-nitro-3-sulfophenyl)azo]-3,6-disulfo-2-naphthalenyl)azo]-
- Molecular formula
- C23H15N5O16S3
- Molecular weight
- 713.58
Names & synonyms
OTGDXIMKHPJONE-UHFFFAOYSA-NDTXSID2011061482-[2-[1,8-Dihydroxy-7-[2-(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]benzoic acid20650-43-5Sulphonitrophenol K2-[(1,8-dihydroxy-)-[(2-hydroxy-5-nitro-3-sulfophenyl)azo]-3,6-disulfo-2-naphthalenyl)azo]-Benzoic acidBenzoic acid,2-[(1,8-dihydroxy-)-[(2-hydroxy-5-nitro-3-sulfophenyl)azo]-3,6-disulfo-2-naphthalenyl)azo]-Benzoic acid, 2-[2-[1,8-dihydroxy-7-[2-(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]-
Database identifiers
- CAS
20650-43-5- PubChem CID
- 165367183
- DTXSID
DTXSID201106148
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 382 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,570
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