3-(2-oxidanylhex-5-enylsulfanyl)benzoic acid

Systemtic Name: 3-(2-oxidanylhex-5-enylsulfanyl)benzoic acid Openeye Name: 3-(2-hydroxyhex-5-enylsulfanyl)benzoic acid CAS Name: 3-(2-hydroxyhex-5-enylthio)benzoic acid IUPAC Name: 3-(2-hydroxyhex-5-enylsulfanyl)benzoic acid Traditional Name: 3-(2-hydroxyhex-5-enylthio)benzoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(CSC1=CC=CC(=C1)C(=O)O)O

Isomeric SMILES

C=CCCC(CSC1=CC=CC(=C1)C(=O)O)O

InChI

InChI=1S/C13H16O3S/c1-2-3-6-11(14)9-17-12-7-4-5-10(8-12)13(15)16/h2,4-5,7-8,11,14H,1,3,6,9H2,(H,15,16)