3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoate

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoate Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoate CAS Name: 3-[(4-methoxyphenyl)methylthio]-3-methylbutanoate IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoate Traditional Name: 3-methyl-3-(p-anisylthio)butyrate Formula: C13H17O3S- MolecularWeight: 253.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)[O-])SCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(CC(=O)[O-])SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C13H18O3S/c1-13(2,8-12(14)15)17-9-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)/p-1