Basic information
- CAS
47897-90-5- Standard SMILES
Cc1cc(S(=O)(=O)O)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc(C(=O)O)cc5)c(S(=O)(=O)O)cc4c3)ccc2c1O- InChIKey
PDOPSGYNSLDYQR-UHFFFAOYSA-N- Molecular formula
- C35H26N6O14S3
- Average molar mass
- 850.8 g/mol
- Monoisotopic mass
- 850.06691305
Names & identifiers
- Preferred name
- 4-({1-Hydroxy-6-[({5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-sulfonaphthalen-2-yl}diazenyl)benzoic acid
- IUPAC
- 4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
Names & synonyms
SCHEMBL12443888DTXSID108659254-({1-Hydroxy-6-[({5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-sulfonaphthalen-2-yl}diazenyl)benzoic acid
Database identifiers
- CAS
47897-90-5- PubChem CID
- 103129
- DTXSID
DTXSID10865925- Nikkaji
- J313.738D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 357 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,880
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…