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

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C17H14ClNO6S MolecularWeight: 395.81416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO6S/c1-24-14-8-10(7-13(18)16(14)25-2)9-15(17(20)21)26-12-5-3-11(4-6-12)19(22)23/h3-9H,1-2H3,(H,20,21)/b15-9+