2-(3,5-ditert-butylphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanyloctanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanyloctanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]octanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanyloctanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]caprylic acid Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C22H36O2S/c1-8-9-10-11-12-19(20(23)24)25-18-14-16(21(2,3)4)13-17(15-18)22(5,6)7/h13-15,19H,8-12H2,1-7H3,(H,23,24)