2-[2-(2-methylpropyl)phenyl]-2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(2-methylpropyl)phenyl]-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-2-(2-isobutylphenyl)propanoic acid CAS Name: 2-[2-(2-methylpropyl)phenyl]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-[2-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-(benzylthio)-2-(2-isobutylphenyl)propionic acid Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1C(C)(C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=CC=CC=C1C(C)(C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C20H24O2S/c1-15(2)13-17-11-7-8-12-18(17)20(3,19(21)22)23-14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,21,22)