ethanethioic S-acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid

Systemtic Name: ethanethioic S-acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid Openeye Name: ethanethioic S-acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid CAS Name: ethanethioic S-acid; (E)-3-(4-methoxyphenyl)-2-propenoic acid IUPAC Name: ethanethioic S-acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid; thioacetic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S.COC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CC(=O)S.COC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C10H10O3.C2H4OS/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-2(3)4/h2-7H,1H3,(H,11,12);1H3,(H,3,4)/b7-4+;