4-(4-methoxyphenyl)-2-sulfanyl-butanoic acid

Systemtic Name: 4-(4-methoxyphenyl)-2-sulfanyl-butanoic acid Openeye Name: 4-(4-methoxyphenyl)-2-sulfanyl-butanoic acid CAS Name: 2-mercapto-4-(4-methoxyphenyl)butanoic acid IUPAC Name: 4-(4-methoxyphenyl)-2-sulfanylbutanoic acid Traditional Name: 2-mercapto-4-(4-methoxyphenyl)butyric acid Formula: C11H14O3S MolecularWeight: 226.29206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O3S/c1-14-9-5-2-8(3-6-9)4-7-10(15)11(12)13/h2-3,5-6,10,15H,4,7H2,1H3,(H,12,13)