2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-octanoic acid

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-octanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-octanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]-2-methyloctanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanyl-2-methyloctanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]-2-methyl-caprylic acid Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O2S/c1-9-10-11-12-13-23(8,20(24)25)26-19-15-17(21(2,3)4)14-18(16-19)22(5,6)7/h14-16H,9-13H2,1-8H3,(H,24,25)