2-[4-(2-methylpropylsulfanyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(2-methylpropylsulfanyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-(4-isobutylsulfanylphenyl)sulfanylbenzoic acid CAS Name: 2-[[4-(2-methylpropylthio)phenyl]thio]benzoic acid IUPAC Name: 2-[4-(2-methylpropylsulfanyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-(isobutylthio)phenyl]thio]benzoic acid Formula: C17H18O2S2 MolecularWeight: 318.45362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)CSC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H18O2S2/c1-12(2)11-20-13-7-9-14(10-8-13)21-16-6-4-3-5-15(16)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)