2-[(4-tert-butylphenyl)methyl]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-sulfanyl-propanoic acid CAS Name: 2-[(4-tert-butylphenyl)methyl]-3-mercaptopropanoic acid IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-3-sulfanylpropanoic acid Traditional Name: 2-(4-tert-butylbenzyl)-3-mercapto-propionic acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(CS)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(CS)C(=O)O

InChI

InChI=1S/C14H20O2S/c1-14(2,3)12-6-4-10(5-7-12)8-11(9-17)13(15)16/h4-7,11,17H,8-9H2,1-3H3,(H,15,16)