2-(phenylmethyl)-3-(2,4,6-trimethylphenyl)carbonylsulfanyl-propanoic acid

Systemtic Name: 2-(phenylmethyl)-3-(2,4,6-trimethylphenyl)carbonylsulfanyl-propanoic acid Openeye Name: 2-benzyl-3-(2,4,6-trimethylbenzoyl)sulfanyl-propanoic acid CAS Name: 2-[[[oxo-(2,4,6-trimethylphenyl)methyl]thio]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(2,4,6-trimethylbenzoyl)sulfanylpropanoic acid Traditional Name: 2-benzyl-3-[(2,4,6-trimethylbenzoyl)thio]propionic acid Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)SCC(CC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)SCC(CC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C20H22O3S/c1-13-9-14(2)18(15(3)10-13)20(23)24-12-17(19(21)22)11-16-7-5-4-6-8-16/h4-10,17H,11-12H2,1-3H3,(H,21,22)