2-(2-butyloctylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid

Systemtic Name: 2-(2-butyloctylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(2-butyloctylsulfanyl)-2-methyl-propanoic acid CAS Name: 2-[(2-butyloctylthio)methyl]-2-methyl-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(2-butyloctylsulfanyl)-2-methylpropanoic acid Traditional Name: 2-benzyl-3-(2-butyloctylthio)-2-methyl-propionic acid Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CSCC(C)(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCC(CCCC)CSCC(C)(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C23H38O2S/c1-4-6-8-10-16-21(13-7-5-2)18-26-19-23(3,22(24)25)17-20-14-11-9-12-15-20/h9,11-12,14-15,21H,4-8,10,13,16-19H2,1-3H3,(H,24,25)