3-[(4-Anilinophenyl)diazenyl]benzene-1-sulfonate
Basic information
- CAS
65113-53-3- Standard SMILES
O=S(=O)([O-])c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1- InChIKey
HLISYGBBLOOIQF-UHFFFAOYSA-M- Molecular formula
- C18H14N3O3S-
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.07558749
Overview
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid. It is a conjugate base of a 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid.
Names & identifiers
- Preferred name
- 3-[(4-Anilinophenyl)diazenyl]benzene-1-sulfonate
- IUPAC
- 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
Names & synonyms
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate3-[(4-anilinophenyl)diazenyl]benzenesulfonateMetanil Yellow anionCHEBI:87238DTXSID301014611STK506810AKOS00545789565113-53-3Q271594603-{(E)-[4-(phenylamino)phenyl]diazenyl}benzenesulfonate
Database identifiers
- CAS
65113-53-3- PubChem CID
- 4138313
- DTXSID
DTXSID301014611- ChEBI
CHEBI:87238- Nikkaji
- J281.581H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- -1
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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