3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-phenylsulfanyl-benzoic acid

Systemtic Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-phenylsulfanyl-benzoic acid Openeye Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-4-phenylsulfanyl-benzoic acid CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-(phenylthio)benzoic acid IUPAC Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-phenylsulfanylbenzoic acid Traditional Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-4-(phenylthio)benzoic acid Formula: C16H15N3O6S2 MolecularWeight: 409.4368

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1SC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1SC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H15N3O6S2/c1-18(2)10-17-27(24,25)14-9-11(16(20)21)8-13(19(22)23)15(14)26-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21)/b17-10+