2-methyl-2-(phenylmethyl)-3-(5-propylnonylsulfanyl)propanoic acid

Systemtic Name: 2-methyl-2-(phenylmethyl)-3-(5-propylnonylsulfanyl)propanoic acid Openeye Name: 2-benzyl-2-methyl-3-(5-propylnonylsulfanyl)propanoic acid CAS Name: 2-methyl-2-(phenylmethyl)-3-(5-propylnonylthio)propanoic acid IUPAC Name: 2-benzyl-2-methyl-3-(5-propylnonylsulfanyl)propanoic acid Traditional Name: 2-benzyl-2-methyl-3-(5-propylnonylthio)propionic acid Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)CCCCSCC(C)(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CCC)CCCCSCC(C)(CC1=CC=CC=C1)C(=O)O

InChI

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