2-(hydroxymethyl)-2-methyl-4-[4-(4-methylphenyl)sulfanylphenyl]butanoic acid

Systemtic Name: 2-(hydroxymethyl)-2-methyl-4-[4-(4-methylphenyl)sulfanylphenyl]butanoic acid Openeye Name: 2-(hydroxymethyl)-2-methyl-4-[4-(p-tolylsulfanyl)phenyl]butanoic acid CAS Name: 2-(hydroxymethyl)-2-methyl-4-[4-[(4-methylphenyl)thio]phenyl]butanoic acid IUPAC Name: 2-(hydroxymethyl)-2-methyl-4-[4-(4-methylphenyl)sulfanylphenyl]butanoic acid Traditional Name: 2-methyl-2-methylol-4-[4-(p-tolylthio)phenyl]butyric acid Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)CCC(C)(CO)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)CCC(C)(CO)C(=O)O

InChI

InChI=1S/C19H22O3S/c1-14-3-7-16(8-4-14)23-17-9-5-15(6-10-17)11-12-19(2,13-20)18(21)22/h3-10,20H,11-13H2,1-2H3,(H,21,22)