2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-benzoic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-benzoic acid Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5-methyl-benzoic acid CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-methylbenzoic acid IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-methylbenzoic acid Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5-methyl-benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C17H16O4S/c1-11-3-8-16(14(9-11)17(19)20)22-10-15(18)12-4-6-13(21-2)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)