methyl 4-(butan-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(butan-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(sec-butylsulfanylmethyl)benzoate CAS Name: 4-[(butan-2-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(butan-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(sec-butylthio)methyl]benzoic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC(C)SCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H18O2S/c1-4-10(2)16-9-11-5-7-12(8-6-11)13(14)15-3/h5-8,10H,4,9H2,1-3H3