methyl 3-butyl-5-(sulfanylmethyl)benzoate

Systemtic Name: methyl 3-butyl-5-(sulfanylmethyl)benzoate Openeye Name: methyl 3-butyl-5-(sulfanylmethyl)benzoate CAS Name: 3-butyl-5-(mercaptomethyl)benzoic acid methyl ester IUPAC Name: methyl 3-butyl-5-(sulfanylmethyl)benzoate Traditional Name: 3-butyl-5-(mercaptomethyl)benzoic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1)C(=O)OC)CS

Isomeric SMILES

CCCCC1=CC(=CC(=C1)C(=O)OC)CS

InChI

InChI=1S/C13H18O2S/c1-3-4-5-10-6-11(9-16)8-12(7-10)13(14)15-2/h6-8,16H,3-5,9H2,1-2H3