2-methyl-2-methylsulfanyl-5-phenyl-pentanoic acid

Systemtic Name: 2-methyl-2-methylsulfanyl-5-phenyl-pentanoic acid Openeye Name: 2-methyl-2-methylsulfanyl-5-phenyl-pentanoic acid CAS Name: 2-methyl-2-(methylthio)-5-phenylpentanoic acid IUPAC Name: 2-methyl-2-methylsulfanyl-5-phenylpentanoic acid Traditional Name: 2-methyl-2-(methylthio)-5-phenyl-valeric acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)(C(=O)O)SC

Isomeric SMILES

CC(CCCC1=CC=CC=C1)(C(=O)O)SC

InChI

InChI=1S/C13H18O2S/c1-13(16-2,12(14)15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,14,15)