2-[(4-fluorophenyl)methyl]-2-sulfanyl-butanoic acid

Systemtic Name: 2-[(4-fluorophenyl)methyl]-2-sulfanyl-butanoic acid Openeye Name: 2-[(4-fluorophenyl)methyl]-2-sulfanyl-butanoic acid CAS Name: 2-[(4-fluorophenyl)methyl]-2-mercaptobutanoic acid IUPAC Name: 2-[(4-fluorophenyl)methyl]-2-sulfanylbutanoic acid Traditional Name: 2-(4-fluorobenzyl)-2-mercapto-butyric acid Formula: C11H13FO2S MolecularWeight: 228.283123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)F)(C(=O)O)S

Isomeric SMILES

CCC(CC1=CC=C(C=C1)F)(C(=O)O)S

InChI

InChI=1S/C11H13FO2S/c1-2-11(15,10(13)14)7-8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3,(H,13,14)