2-[(4-methylphenyl)methyl]-3-oxidanylidene-3-(phenylmethylsulfanyl)oxy-propanoic acid

Systemtic Name: 2-[(4-methylphenyl)methyl]-3-oxidanylidene-3-(phenylmethylsulfanyl)oxy-propanoic acid Openeye Name: 3-benzylsulfanyloxy-3-oxo-2-(p-tolylmethyl)propanoic acid CAS Name: 2-[(4-methylphenyl)methyl]-3-oxo-3-(phenylmethylthio)oxypropanoic acid IUPAC Name: 3-benzylsulfanyloxy-2-[(4-methylphenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-(benzylthio)oxy-3-keto-2-(4-methylbenzyl)propionic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)O)C(=O)OSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)O)C(=O)OSCC2=CC=CC=C2

InChI

InChI=1S/C18H18O4S/c1-13-7-9-14(10-8-13)11-16(17(19)20)18(21)22-23-12-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)