(E)-3-(3,4-diethoxyphenyl)-2-sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-2-sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(3,4-diethoxyphenyl)-2-sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(3,4-diethoxyphenyl)-2-mercapto-2-propenoic acid IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-2-sulfanylprop-2-enoic acid Traditional Name: (E)-3-(3,4-diethoxyphenyl)-2-mercapto-acrylic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C(=O)O)S)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C(=O)O)/S)OCC

InChI

InChI=1S/C13H16O4S/c1-3-16-10-6-5-9(7-11(10)17-4-2)8-12(18)13(14)15/h5-8,18H,3-4H2,1-2H3,(H,14,15)/b12-8+