Sodium 1-amino-4-(3-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Basic information
- CAS
25492-75-5- Standard SMILES
Nc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1.[Na+]- InChIKey
VVWRNSVLXXYFAA-UHFFFAOYSA-N- Molecular formula
- C20H15N3NaO5S+
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.06301104
Names & identifiers
- Preferred name
- Sodium 1-amino-4-(3-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
- IUPAC
- sodium 1-amino-4-(3-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Names & synonyms
25492-75-5NSC115372DTXSID40637935NSC-115372sodium;1-amino-4-(3-aminoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Database identifiers
- CAS
25492-75-5- PubChem CID
- 24190828
- DTXSID
DTXSID40637935
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 767
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Compound notes
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