2-[(3-tert-butylphenyl)methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(3-tert-butylphenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(3-tert-butylphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[(3-tert-butylphenyl)methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[(3-tert-butylphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 2-(3-tert-butylbenzyl)-5-mercapto-valeric acid Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)CC(CCCS)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)CC(CCCS)C(=O)O

InChI

InChI=1S/C16H24O2S/c1-16(2,3)14-8-4-6-12(11-14)10-13(15(17)18)7-5-9-19/h4,6,8,11,13,19H,5,7,9-10H2,1-3H3,(H,17,18)