2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(4-aminophenyl)amino]-5-nitro-benzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(4-aminoanilino)-5-nitro-benzenesulfonic acid; 2-methyl-1,4-benzoquinone CAS Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(4-aminoanilino)-5-nitro-besylic acid; 2-methyl-p-benzoquinone Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=CC1=O.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)C=CC1=O.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H11N3O5S.C7H6O2/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;1-5-4-6(8)2-3-7(5)9/h1-7,14H,13H2,(H,18,19,20);2-4H,1H3