Basic information
- CAS
739301-94-1- Standard SMILES
Cc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(S(=O)(=O)O)ccc6c5)c(S(=O)(=O)O)cc4c3)ccc2c1O- InChIKey
MTYFLWBSAJJYJS-UHFFFAOYSA-N- Molecular formula
- C38H28N6O12S3
- Average molar mass
- 856.9 g/mol
- Monoisotopic mass
- 856.09273387
Names & identifiers
- Preferred name
- Brilliant Paper Scarlet G
- IUPAC
- 4-hydroxy-7-[[5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
Direct Red 73 free acidX4845Q43APUNII-X4845Q43APCHEMBL1092075Brilliant Paper Scarlet G739301-94-12-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-(2-(2-methylphenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-4-Hydroxy-7-((((5-hydroxy-6-(2-(2-methylphenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenesulfonic acidNSC58057NSC-58057C.I. 29180BDBM50316061
Show more names
C.I. Direct Red 73, (*Trisodium salt*)2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(E)-(2-methylphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(E)-(6-sulfo-2-naphthalenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-6-[(2-methylphenyl)azo]-7-sulfo-2-naphth}{alenyl]-amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]4-hydroxy-7-[[5-hydroxy-6-[(E)-o-tolylazo]-7-sulfo-2-naphthyl]carbamoylamino]-3-[(E)-(6-sulfo-2-naphthyl)azo]naphthalene-2-sulfonic acid
Database identifiers
- CAS
739301-94-1
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 319 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,890
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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