2-[1-(3-methyl-4-phenyl-phenyl)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[1-(3-methyl-4-phenyl-phenyl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[1-(3-methyl-4-phenyl-phenyl)ethylsulfanyl]acetic acid CAS Name: 2-[1-(3-methyl-4-phenylphenyl)ethylthio]acetic acid IUPAC Name: 2-[1-(3-methyl-4-phenylphenyl)ethylsulfanyl]acetic acid Traditional Name: 2-[1-(3-methyl-4-phenyl-phenyl)ethylthio]acetic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O2S/c1-12-10-15(13(2)20-11-17(18)19)8-9-16(12)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,19)