2-[2-(3-methoxyphenyl)ethanethioylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(3-methoxyphenyl)ethanethioylsulfanyl]ethanoic acid Openeye Name: 2-[2-(3-methoxyphenyl)ethanethioyl]sulfanylacetic acid CAS Name: 2-[[2-(3-methoxyphenyl)-1-sulfanylideneethyl]thio]acetic acid IUPAC Name: 2-[2-(3-methoxyphenyl)ethanethioyl]sulfanylacetic acid Traditional Name: 2-[[2-(3-methoxyphenyl)thioacetyl]thio]acetic acid Formula: C11H12O3S2 MolecularWeight: 256.34118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=S)SCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(=S)SCC(=O)O

InChI

InChI=1S/C11H12O3S2/c1-14-9-4-2-3-8(5-9)6-11(15)16-7-10(12)13/h2-5H,6-7H2,1H3,(H,12,13)