C.I. Direct Yellow 63
Basic information
- CAS
6527-68-0- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(NC(=O)c4ccc(N)cc4)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)cc1.[Na+]- InChIKey
GPZQXCCMFDFPEW-UHFFFAOYSA-N- Molecular formula
- C27H24N6NaO9S2+
- Average molar mass
- 663.6 g/mol
- Monoisotopic mass
- 663.09438799
Names & identifiers
- Preferred name
- C.I. Direct Yellow 63
- IUPAC
- sodium 2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid
Names & synonyms
6527-68-0C.I. Direct Yellow 63Pontamine Diazo Yellow 2GLNSC71960NSC-71960C.I. 36910Benzenesulfonic acid,5'-ureylenebis[2-(p-aminobenzamido)-, disodium saltBenzenesulfonic acid,3'-(carbonyldiimino)bis[6-[(4-aminobenzoyl)amino]-, disodium salt
Database identifiers
- CAS
6527-68-0、71799-03-6- PubChem CID
- 54598360
- EC Number
- 615-456-1
Properties
Computed structural properties
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 1
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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