3-(2,3,4-trimethoxyphenyl)propanethioic S-acid

Systemtic Name: 3-(2,3,4-trimethoxyphenyl)propanethioic S-acid Openeye Name: 3-(2,3,4-trimethoxyphenyl)propanethioic S-acid CAS Name: 3-(2,3,4-trimethoxyphenyl)propanethioic S-acid IUPAC Name: 3-(2,3,4-trimethoxyphenyl)propanethioic S-acid Traditional Name: 3-(2,3,4-trimethoxyphenyl)thiopropionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCC(=O)S)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CCC(=O)S)OC)OC

InChI

InChI=1S/C12H16O4S/c1-14-9-6-4-8(5-7-10(13)17)11(15-2)12(9)16-3/h4,6H,5,7H2,1-3H3,(H,13,17)