2-(4-butyloctylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid

Systemtic Name: 2-(4-butyloctylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-butyloctylsulfanyl)-2-methyl-propanoic acid CAS Name: 2-[(4-butyloctylthio)methyl]-2-methyl-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(4-butyloctylsulfanyl)-2-methylpropanoic acid Traditional Name: 2-benzyl-3-(4-butyloctylthio)-2-methyl-propionic acid Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CCCSCC(C)(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CCCC)CCCSCC(C)(CC1=CC=CC=C1)C(=O)O

InChI

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