(E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C17H14N2O8S MolecularWeight: 406.36666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N2O8S/c1-26-14-7-10(13(19(24)25)9-15(14)27-2)8-16(17(20)21)28-12-5-3-11(4-6-12)18(22)23/h3-9H,1-2H3,(H,20,21)/b16-8+