methyl 4-(2-methylpropylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(2-methylpropylsulfanylmethyl)benzoate Openeye Name: methyl 4-(isobutylsulfanylmethyl)benzoate CAS Name: 4-[(2-methylpropylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-methylpropylsulfanylmethyl)benzoate Traditional Name: 4-[(isobutylthio)methyl]benzoic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)CSCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H18O2S/c1-10(2)8-16-9-11-4-6-12(7-5-11)13(14)15-3/h4-7,10H,8-9H2,1-3H3