Direct Violet 32 free acid
Basic information
- CAS
25188-50-5- Standard SMILES
COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3O)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N- InChIKey
VPTNFOBUFBZZFO-UHFFFAOYSA-N- Molecular formula
- C34H27N5O9S2
- Average molar mass
- 713.7 g/mol
- Monoisotopic mass
- 713.1250198
Names & identifiers
- Preferred name
- Direct Violet 32 free acid
- IUPAC
- 4-amino-3-[[4-[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
Direct Violet 32 free acid25188-50-552T8ZW8BPBSCHEMBL1423903SCHEMBL1423907DTXSID008599741-Naphthalenesulfonic acid, 4-amino-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-3-({4'-[(1-Amino-4-sulfonaphthalen-2-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)-4-hydroxynaphthalene-1-sulfonic acid4-Amino-3-((4'-((1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy[biphenyl]-4-yl)diazenyl)-1-naphthalenesulfonic acid
Database identifiers
- CAS
25188-50-5- PubChem CID
- 22943
- DTXSID
DTXSID00859974- UNII
- 52T8ZW8BPB
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,420
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