2-[4-[(4-chlorophenyl)methyl]phenyl]sulfanyl-2-methyl-butanoic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]phenyl]sulfanyl-2-methyl-butanoic acid Openeye Name: 2-[4-[(4-chlorophenyl)methyl]phenyl]sulfanyl-2-methyl-butanoic acid CAS Name: 2-[[4-[(4-chlorophenyl)methyl]phenyl]thio]-2-methylbutanoic acid IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]phenyl]sulfanyl-2-methylbutanoic acid Traditional Name: 2-[[4-(4-chlorobenzyl)phenyl]thio]-2-methyl-butyric acid Formula: C18H19ClO2S MolecularWeight: 334.86026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)SC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)(C(=O)O)SC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClO2S/c1-3-18(2,17(20)21)22-16-10-6-14(7-11-16)12-13-4-8-15(19)9-5-13/h4-11H,3,12H2,1-2H3,(H,20,21)