3-[2-(4-chloranylphenoxy)phenyl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 3-[2-(4-chloranylphenoxy)phenyl]sulfanyl-3-methyl-butanoic acid Openeye Name: 3-[2-(4-chlorophenoxy)phenyl]sulfanyl-3-methyl-butanoic acid CAS Name: 3-[[2-(4-chlorophenoxy)phenyl]thio]-3-methylbutanoic acid IUPAC Name: 3-[2-(4-chlorophenoxy)phenyl]sulfanyl-3-methylbutanoic acid Traditional Name: 3-[[2-(4-chlorophenoxy)phenyl]thio]-3-methyl-butyric acid Formula: C17H17ClO3S MolecularWeight: 336.83308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)SC1=CC=CC=C1OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(CC(=O)O)SC1=CC=CC=C1OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClO3S/c1-17(2,11-16(19)20)22-15-6-4-3-5-14(15)21-13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3,(H,19,20)