2-(4-tert-butylphenyl)sulfanyl-8-phenyl-octanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-8-phenyl-octanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-8-phenyl-octanoic acid CAS Name: 2-[(4-tert-butylphenyl)thio]-8-phenyloctanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-8-phenyloctanoic acid Traditional Name: 2-[(4-tert-butylphenyl)thio]-8-phenyl-caprylic acid Formula: C24H32O2S MolecularWeight: 384.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H32O2S/c1-24(2,3)20-15-17-21(18-16-20)27-22(23(25)26)14-10-5-4-7-11-19-12-8-6-9-13-19/h6,8-9,12-13,15-18,22H,4-5,7,10-11,14H2,1-3H3,(H,25,26)