(E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-10-7-12(8-11(2)16(10)19)9-15(17(20)21)24-14-5-3-13(4-6-14)18(22)23/h3-9,19H,1-2H3,(H,20,21)/b15-9+