2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[2-(2-methoxyphenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[2-(2-methoxy-5-sulfophenyl)diazenyl]-, sodium salt (1:3)
Basic information
- CAS
68084-15-1- Standard SMILES
COc1ccccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5cc(S(=O)(=O)[O-])ccc5OC)c(S(=O)(=O)[O-])cc4c3)ccc2c1O.[Na+].[Na+].[Na+]- InChIKey
XKUCKKSVLVHMNU-UHFFFAOYSA-K- Molecular formula
- C35H25N6Na3O14S3
- Average molar mass
- 918.8 g/mol
- Monoisotopic mass
- 918.02839586
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[2-(2-methoxyphenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[2-(2-methoxy-5-sulfophenyl)diazenyl]-, sodium salt (1:3)
- IUPAC
- trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
Names & synonyms
68084-15-1DTXSID50889923EINECS 268-427-72-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-((2-methoxyphenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((2-methoxy-5-sulfophenyl)azo)-, trisodium salt2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-(2-(2-methoxyphenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(2-methoxy-5-sulfophenyl)diazenyl)-, sodium salt (1:3)2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[2-(2-methoxyphenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[2-(2-methoxy-5-sulfophenyl)diazenyl]-, sodium salt (1:3)4-Hydroxy-7-((((5-hydroxy-6-((2-methoxyphenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((2-methoxy-5-sulfophenyl)azo)-2-naphthalenesulfonic acid, trisodium salt2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(2-methoxy-5-sulfophenyl)azo]-, trisodium saltRefChem:88503DTXCID501035950Trisodium 4-hydroxy-7-((((5-hydroxy-6-((2-methoxyphenyl)azo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-((2-methoxy-5-sulphonatophenyl)azo)naphthalene-2-sulphonate
Properties
Computed structural properties
- Topological polar surface area
- 346 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,780
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[2-(2-methoxyphenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[2-(2-methoxy-5-sulfophenyl)diazenyl]-, sodium salt (1:3): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…