2-(2-methylpropylsulfanylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(2-methylpropylsulfanylmethyl)-5-phenyl-pentanoic acid Openeye Name: 2-(isobutylsulfanylmethyl)-5-phenyl-pentanoic acid CAS Name: 2-[(2-methylpropylthio)methyl]-5-phenylpentanoic acid IUPAC Name: 2-(2-methylpropylsulfanylmethyl)-5-phenylpentanoic acid Traditional Name: 2-[(isobutylthio)methyl]-5-phenyl-valeric acid Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2S/c1-13(2)11-19-12-15(16(17)18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,18)