(E)-3-(3,5-dimethoxyphenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6S/c1-23-13-7-11(8-14(10-13)24-2)9-16(17(19)20)25-15-5-3-12(4-6-15)18(21)22/h3-10H,1-2H3,(H,19,20)/b16-9+