Basic information
- CAS
6598-63-6- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(S(=O)(=O)[O-])c(N=Nc3ccc(C(=O)[O-])cc3)c(O)cc2c1.[Na+].[Na+].[Na+]- InChIKey
UJHQBTPRMLQDRG-UHFFFAOYSA-K- Molecular formula
- C34H21N6Na3O11S2
- Average molar mass
- 822.7 g/mol
- Monoisotopic mass
- 822.0402807
Names & identifiers
- Preferred name
- Trisodium 4-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)benzoate
- IUPAC
- trisodium;4-[[3-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)carbamoylamino]-1-sulfonatonaphthalen-2-yl]diazenyl]benzoate
Names & synonyms
Trisodium 4-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)benzoateTrisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoateRefChem:900490229-539-1DTXSID10889565Trisodium;4-[[3-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)carbamoylamino]-1-sulfonatonaphthalen-2-yl]diazenyl]benzoateNS00082745Sodium 4-((1-hydroxy-6-(3-(5-hydroxy-6-(phenyldiazenyl)-7-sulfonatonaphthalen-2-yl)ureido)-3-sulfonatonaphthalen-2-yl)diazenyl)benzoateTrisodium 4-{[3-hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonatonaphthalen-2-yl]carbamoyl}amino)-1-sulfonatonaphthalen-2-yl]diazenyl}benzoate
Database identifiers
- CAS
6598-63-6- PubChem CID
- 81073
- DTXSID
DTXSID10889565
Properties
Computed structural properties
- Topological polar surface area
- 302 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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