Basic information
- CAS
76186-07-7- Standard SMILES
Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)c(N=Nc4ccc(Nc5ccc(N=Nc6c(S(=O)(=O)O)cc7ccc(N=Nc8ccc(N)cc8N)cc7c6O)cc5S(=O)(=O)O)cc4)c(O)c3c2)c(N)c1- InChIKey
SNOKTOUJNTYKIE-UHFFFAOYSA-N- Molecular formula
- C44H35N13O11S3
- Average molar mass
- 1,018 g/mol
- Monoisotopic mass
- 1,017.1741125
Names & identifiers
- Preferred name
- 6-[2-(2,4-Diaminophenyl)diazenyl]-3-[2-[4-[2-[4-[[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid
- IUPAC
- 6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-sulfoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Names & synonyms
76186-07-76-[2-(2,4-Diaminophenyl)diazenyl]-3-[2-[4-[2-[4-[[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid6-(2-(2,4-Diaminophenyl)diazenyl)-3-(2-(4-(2-(4-((7-(2-(2,4-diaminophenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-4-hydroxy-2-naphthalenesulfonic acidRefChem:3064812-NAphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[2-[4-[[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-SCHEMBL14164004SNOKTOUJNTYKIE-UHFFFAOYSA-NDTXSID501028810EINECS 278-387-26-((2,4-Diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulpho-2-naphthyl)azo)phenyl)amino)-3-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid6-(2,4-Diaminophenylazo)-3-[4-[4-[7-(2,4-diaminophenylazo)-1-hydroxy-3-sulfo-2-naphthalenylazo]phenylamino]-3-sulfophenylazo]-4-hydroxy-2-naphthalenesulfonic acidNS00090025
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 444 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 13
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 2,260
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulpho-2-naphthyl]azo]phenyl]amino]-3-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid (EC: 278-387-2)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…