4-[2-(2-methylpropylsulfanyl)ethoxy]benzoic acid

Systemtic Name: 4-[2-(2-methylpropylsulfanyl)ethoxy]benzoic acid Openeye Name: 4-(2-isobutylsulfanylethoxy)benzoic acid CAS Name: 4-[2-(2-methylpropylthio)ethoxy]benzoic acid IUPAC Name: 4-[2-(2-methylpropylsulfanyl)ethoxy]benzoic acid Traditional Name: 4-[2-(isobutylthio)ethoxy]benzoic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCOC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CSCCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H18O3S/c1-10(2)9-17-8-7-16-12-5-3-11(4-6-12)13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)