4-(4-aminophenyl)sulfonyl-3-nitro-benzenesulfonic acid

Systemtic Name: 4-(4-aminophenyl)sulfonyl-3-nitro-benzenesulfonic acid Openeye Name: 4-(4-aminophenyl)sulfonyl-3-nitro-benzenesulfonic acid CAS Name: 4-(4-aminophenyl)sulfonyl-3-nitrobenzenesulfonic acid IUPAC Name: 4-(4-aminophenyl)sulfonyl-3-nitrobenzenesulfonic acid Traditional Name: 3-nitro-4-sulfanilyl-besylic acid Formula: C12H10N2O7S2 MolecularWeight: 358.347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O7S2/c13-8-1-3-9(4-2-8)22(17,18)12-6-5-10(23(19,20)21)7-11(12)14(15)16/h1-7H,13H2,(H,19,20,21)