(E)-3-(4-methoxy-3-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(4-methoxy-3-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(3-hydroxy-4-methoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(3-hydroxy-4-methoxy-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C16H13NO6S MolecularWeight: 347.34252

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6S/c1-23-14-7-2-10(8-13(14)18)9-15(16(19)20)24-12-5-3-11(4-6-12)17(21)22/h2-9,18H,1H3,(H,19,20)/b15-9+