2-(dodecan-2-ylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid

Systemtic Name: 2-(dodecan-2-ylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid Openeye Name: 2-benzyl-2-methyl-3-(1-methylundecylsulfanyl)propanoic acid CAS Name: 2-[(dodecan-2-ylthio)methyl]-2-methyl-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-dodecan-2-ylsulfanyl-2-methylpropanoic acid Traditional Name: 2-benzyl-2-methyl-3-(1-methylundecylthio)propionic acid Formula: C23H38O2S MolecularWeight: 378.61162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SCC(C)(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)SCC(C)(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C23H38O2S/c1-4-5-6-7-8-9-10-12-15-20(2)26-19-23(3,22(24)25)18-21-16-13-11-14-17-21/h11,13-14,16-17,20H,4-10,12,15,18-19H2,1-3H3,(H,24,25)