2-[2-(3,5-ditert-butylphenyl)sulfanylcyclooctyl]oxyethanoic acid

Systemtic Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclooctyl]oxyethanoic acid Openeye Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclooctoxy]acetic acid CAS Name: 2-[2-[(3,5-ditert-butylphenyl)thio]cyclooctyl]oxyacetic acid IUPAC Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclooctyl]oxyacetic acid Traditional Name: 2-[2-[(3,5-ditert-butylphenyl)thio]cyclooctoxy]acetic acid Formula: C24H38O3S MolecularWeight: 406.62172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCCCC2OCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCCCC2OCC(=O)O)C(C)(C)C

InChI

InChI=1S/C24H38O3S/c1-23(2,3)17-13-18(24(4,5)6)15-19(14-17)28-21-12-10-8-7-9-11-20(21)27-16-22(25)26/h13-15,20-21H,7-12,16H2,1-6H3,(H,25,26)