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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)CCSCC(C)(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCC(CCCC)CCSCC(C)(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C23H38O2S/c1-4-6-9-13-20(12-7-5-2)16-17-26-19-23(3,22(24)25)18-21-14-10-8-11-15-21/h8,10-11,14-15,20H,4-7,9,12-13,16-19H2,1-3H3,(H,24,25)