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

Systemtic Name: (E)-2-(4-nitrophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-(4-nitrophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid CAS Name: (E)-2-[(4-nitrophenyl)thio]-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(4-nitrophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-[(4-nitrophenyl)thio]-3-(3,4,5-trimethoxyphenyl)acrylic acid Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO7S/c1-24-14-8-11(9-15(25-2)17(14)26-3)10-16(18(20)21)27-13-6-4-12(5-7-13)19(22)23/h4-10H,1-3H3,(H,20,21)/b16-10+