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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]acetic acid CAS Name: 2-[(3-methoxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-(m-anisylthio)acetic acid Formula: C10H12O3S MolecularWeight: 212.26548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CSCC(=O)O

InChI

InChI=1S/C10H12O3S/c1-13-9-4-2-3-8(5-9)6-14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)