3-(3,4,5-trimethoxyphenyl)propanethioic S-acid

Systemtic Name: 3-(3,4,5-trimethoxyphenyl)propanethioic S-acid Openeye Name: 3-(3,4,5-trimethoxyphenyl)propanethioic S-acid CAS Name: 3-(3,4,5-trimethoxyphenyl)propanethioic S-acid IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propanethioic S-acid Traditional Name: 3-(3,4,5-trimethoxyphenyl)thiopropionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)S

InChI

InChI=1S/C12H16O4S/c1-14-9-6-8(4-5-11(13)17)7-10(15-2)12(9)16-3/h6-7H,4-5H2,1-3H3,(H,13,17)