3-(butan-2-ylsulfanylmethyl)benzoic acid

Systemtic Name: 3-(butan-2-ylsulfanylmethyl)benzoic acid Openeye Name: 3-(sec-butylsulfanylmethyl)benzoic acid CAS Name: 3-[(butan-2-ylthio)methyl]benzoic acid IUPAC Name: 3-(butan-2-ylsulfanylmethyl)benzoic acid Traditional Name: 3-[(sec-butylthio)methyl]benzoic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-3-9(2)15-8-10-5-4-6-11(7-10)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)