potassium 2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-octanoate

Systemtic Name: potassium 2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-octanoate Openeye Name: potassium 2-(3,5-ditert-butylphenyl)sulfanyl-2-methyl-octanoate CAS Name: potassium 2-[(3,5-ditert-butylphenyl)thio]-2-methyloctanoate IUPAC Name: potassium 2-(3,5-ditert-butylphenyl)sulfanyl-2-methyloctanoate Traditional Name: potassium 2-[(3,5-ditert-butylphenyl)thio]-2-methyl-caprylate Formula: C23H37KO2S MolecularWeight: 416.70198

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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.[K+]

Isomeric SMILES

CCCCCCC(C)(C(=O)[O-])SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.[K+]

InChI

InChI=1S/C23H38O2S.K/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);/q;+1/p-1