2,4-Dihydroxy-3,5-bis[(4-nitrophenyl)diazenyl]benzene-1-sulfonic acid
Basic information
- CAS
27831-63-6- Standard SMILES
O=c1c(S(=O)(=O)O)c/c(=N/Nc2ccc([N+](=O)[O-])cc2)c(=O)/c1=N/Nc1ccc([N+](=O)[O-])cc1- InChIKey
JEWCIFUYLRPUTD-WPCKRRSASA-N- Molecular formula
- C18H12N6O9S
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 488.03864716
Overview
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Names & identifiers
- Preferred name
- 2,4-Dihydroxy-3,5-bis[(4-nitrophenyl)diazenyl]benzene-1-sulfonic acid
- IUPAC
- (3Z,5Z)-3,5-bis[(4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohexene-1-sulfonic acid
Names & synonyms
DTXSID506734227831-63-62,4-Dihydroxy-3,5-bis[(4-nitrophenyl)diazenyl]benzene-1-sulfonic acid
Database identifiers
- CAS
27831-63-6- PubChem CID
- 5486568
- DTXSID
DTXSID5067342- Nikkaji
- J422.203B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,050
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