2-(3,4,5-trimethoxyphenyl)carbothioylsulfanylethanoic acid

Systemtic Name: 2-(3,4,5-trimethoxyphenyl)carbothioylsulfanylethanoic acid Openeye Name: 2-(3,4,5-trimethoxybenzenecarbothioyl)sulfanylacetic acid CAS Name: 2-[[sulfanylidene-(3,4,5-trimethoxyphenyl)methyl]thio]acetic acid IUPAC Name: 2-(3,4,5-trimethoxybenzenecarbothioyl)sulfanylacetic acid Traditional Name: 2-[(3,4,5-trimethoxythiobenzoyl)thio]acetic acid Formula: C12H14O5S2 MolecularWeight: 302.36656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=S)SCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=S)SCC(=O)O

InChI

InChI=1S/C12H14O5S2/c1-15-8-4-7(12(18)19-6-10(13)14)5-9(16-2)11(8)17-3/h4-5H,6H2,1-3H3,(H,13,14)