8-(2,5-dimethylphenyl)sulfanyloctanoic acid

Systemtic Name: 8-(2,5-dimethylphenyl)sulfanyloctanoic acid Openeye Name: 8-(2,5-dimethylphenyl)sulfanyloctanoic acid CAS Name: 8-[(2,5-dimethylphenyl)thio]octanoic acid IUPAC Name: 8-(2,5-dimethylphenyl)sulfanyloctanoic acid Traditional Name: 8-[(2,5-dimethylphenyl)thio]caprylic acid Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCCCCCCCC(=O)O

InChI

InChI=1S/C16H24O2S/c1-13-9-10-14(2)15(12-13)19-11-7-5-3-4-6-8-16(17)18/h9-10,12H,3-8,11H2,1-2H3,(H,17,18)