4-[[4-[[4-[(6,8-Disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Basic information
- CAS
7356-49-2- Standard SMILES
Cc1cc(NC(=O)c2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1- InChIKey
OMWGHXKGZNIHAS-UHFFFAOYSA-N- Molecular formula
- C34H25N5O14S4
- Average molar mass
- 855.9 g/mol
- Monoisotopic mass
- 855.02808518
Names & identifiers
- Preferred name
- 4-[[4-[[4-[(6,8-Disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
- IUPAC
- 4-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
SCHEMBL14418373NSC-65845
Database identifiers
- CAS
7356-49-2- PubChem CID
- 414997
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 350 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,950
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…