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

Systemtic Name: (E)-3-(4-methoxy-3-methyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(4-methoxy-3-methyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(4-methoxy-3-methylphenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(4-methoxy-3-methylphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(4-methoxy-3-methyl-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15NO5S/c1-11-9-12(3-8-15(11)23-2)10-16(17(19)20)24-14-6-4-13(5-7-14)18(21)22/h3-10H,1-2H3,(H,19,20)/b16-10+