2-(3-butan-2-ylsulfanylpropoxy)benzoic acid

Systemtic Name: 2-(3-butan-2-ylsulfanylpropoxy)benzoic acid Openeye Name: 2-(3-sec-butylsulfanylpropoxy)benzoic acid CAS Name: 2-[3-(butan-2-ylthio)propoxy]benzoic acid IUPAC Name: 2-(3-butan-2-ylsulfanylpropoxy)benzoic acid Traditional Name: 2-[3-(sec-butylthio)propoxy]benzoic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCCOC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCC(C)SCCCOC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H20O3S/c1-3-11(2)18-10-6-9-17-13-8-5-4-7-12(13)14(15)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16)