4-Hydroxy-7-[(sulfomethyl)amino]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
Basic information
- CAS
1179810-74-2- Standard SMILES
O=S(=O)(O)CNc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1- InChIKey
IEPMWOYZYNKOKG-UHFFFAOYSA-N- Molecular formula
- C19H19N3O13S4
- Average molar mass
- 625.6 g/mol
- Monoisotopic mass
- 624.98007236
Names & identifiers
- Preferred name
- 4-Hydroxy-7-[(sulfomethyl)amino]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
- IUPAC
- 4-hydroxy-7-(sulfomethylamino)-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
DTXSID8011073061179810-74-24-Hydroxy-7-[(sulfomethyl)amino]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
Database identifiers
- CAS
1179810-74-2- PubChem CID
- 165367306
- DTXSID
DTXSID801107306
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 297 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,290
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Compound notes
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