Basic information
- CAS
19668-12-3- Standard SMILES
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)c(O)c12- InChIKey
GWALFXZTGZYSJB-UHFFFAOYSA-N- Molecular formula
- C20H15N3O14S4
- Average molar mass
- 649.6 g/mol
- Monoisotopic mass
- 648.94368686
Names & identifiers
- Preferred name
- 5-Amino-4-hydroxy-3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
- IUPAC
- 5-amino-4-hydroxy-3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
NSC16253019668-12-3NSC-162530
Database identifiers
- CAS
19668-12-3- PubChem CID
- 424112
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 342 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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