3-(2,4,6-trimethoxyphenyl)propanethioic S-acid

Systemtic Name: 3-(2,4,6-trimethoxyphenyl)propanethioic S-acid Openeye Name: 3-(2,4,6-trimethoxyphenyl)propanethioic S-acid CAS Name: 3-(2,4,6-trimethoxyphenyl)propanethioic S-acid IUPAC Name: 3-(2,4,6-trimethoxyphenyl)propanethioic S-acid Traditional Name: 3-(2,4,6-trimethoxyphenyl)thiopropionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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