2-[1-[(3,5-ditert-butylphenyl)methyl]cyclopentyl]sulfanylethanoic acid

Systemtic Name: 2-[1-[(3,5-ditert-butylphenyl)methyl]cyclopentyl]sulfanylethanoic acid Openeye Name: 2-[1-[(3,5-ditert-butylphenyl)methyl]cyclopentyl]sulfanylacetic acid CAS Name: 2-[[1-[(3,5-ditert-butylphenyl)methyl]cyclopentyl]thio]acetic acid IUPAC Name: 2-[1-[(3,5-ditert-butylphenyl)methyl]cyclopentyl]sulfanylacetic acid Traditional Name: 2-[[1-(3,5-ditert-butylbenzyl)cyclopentyl]thio]acetic acid Formula: C22H34O2S MolecularWeight: 362.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC2(CCCC2)SCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC2(CCCC2)SCC(=O)O)C(C)(C)C

InChI

InChI=1S/C22H34O2S/c1-20(2,3)17-11-16(12-18(13-17)21(4,5)6)14-22(9-7-8-10-22)25-15-19(23)24/h11-13H,7-10,14-15H2,1-6H3,(H,23,24)