3-azanyl-5-nitro-4-oxidanyl-benzenesulfonic acid hydrate

Systemtic Name: 3-azanyl-5-nitro-4-oxidanyl-benzenesulfonic acid hydrate Openeye Name: 3-amino-4-hydroxy-5-nitro-benzenesulfonic acid hydrate CAS Name: 3-amino-4-hydroxy-5-nitrobenzenesulfonic acid hydrate IUPAC Name: 3-amino-4-hydroxy-5-nitrobenzenesulfonic acid hydrate Traditional Name: 3-amino-4-hydroxy-5-nitro-besylic acid hydrate Formula: C6H8N2O7S MolecularWeight: 252.20192

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)N)S(=O)(=O)O.O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)N)S(=O)(=O)O.O

InChI

InChI=1S/C6H6N2O6S.H2O/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11;/h1-2,9H,7H2,(H,12,13,14);1H2