Basic information
- CAS
58851-83-5- Standard SMILES
N=C(N)N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O- InChIKey
HTOSMCPKTCQHQV-UHFFFAOYSA-N- Molecular formula
- C11H10N4O4S
- Average molar mass
- 294.29 g/mol
- Monoisotopic mass
- 294.04227599
Names & identifiers
- Preferred name
- 3,4-Dihydro-3-((aminoiminomethyl)hydrazono)-4-oxo-1-naphthalenesulfonic acid
- IUPAC
- 3-(carbamimidoyldiazenyl)-4-hydroxynaphthalene-1-sulfonic acid
Names & synonyms
1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, 3-(amidinohydrazone)3,4-Dihydro-3-((aminoiminomethyl)hydrazono)-4-oxo-1-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 3,4-dihydro-3-((aminoiminomethyl)hydrazono)-4-oxo-58851-83-5
Database identifiers
- CAS
58851-83-5- PubChem CID
- 3041925
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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