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

Systemtic Name: 2-[3-(4-chloranylphenoxy)propylsulfanylmethyl]-3-methyl-butanoic acid Openeye Name: 2-[3-(4-chlorophenoxy)propylsulfanylmethyl]-3-methyl-butanoic acid CAS Name: 2-[[3-(4-chlorophenoxy)propylthio]methyl]-3-methylbutanoic acid IUPAC Name: 2-[3-(4-chlorophenoxy)propylsulfanylmethyl]-3-methylbutanoic acid Traditional Name: 2-[[3-(4-chlorophenoxy)propylthio]methyl]-3-methyl-butyric acid Formula: C15H21ClO3S MolecularWeight: 316.84344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CSCCCOC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CC(C)C(CSCCCOC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C15H21ClO3S/c1-11(2)14(15(17)18)10-20-9-3-8-19-13-6-4-12(16)5-7-13/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18)