2-(6-ethyldecylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid

Systemtic Name: 2-(6-ethyldecylsulfanylmethyl)-2-methyl-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(6-ethyldecylsulfanyl)-2-methyl-propanoic acid CAS Name: 2-[(6-ethyldecylthio)methyl]-2-methyl-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(6-ethyldecylsulfanyl)-2-methylpropanoic acid Traditional Name: 2-benzyl-3-(6-ethyldecylthio)-2-methyl-propionic acid Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCCCCSCC(C)(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CC)CCCCCSCC(C)(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C23H38O2S/c1-4-6-13-20(5-2)14-11-8-12-17-26-19-23(3,22(24)25)18-21-15-9-7-10-16-21/h7,9-10,15-16,20H,4-6,8,11-14,17-19H2,1-3H3,(H,24,25)