3-dodecan-2-ylsulfanyl-2-methyl-2-phenyl-propanoic acid

Systemtic Name: 3-dodecan-2-ylsulfanyl-2-methyl-2-phenyl-propanoic acid Openeye Name: 2-methyl-3-(1-methylundecylsulfanyl)-2-phenyl-propanoic acid CAS Name: 3-(dodecan-2-ylthio)-2-methyl-2-phenylpropanoic acid IUPAC Name: 3-dodecan-2-ylsulfanyl-2-methyl-2-phenylpropanoic acid Traditional Name: 2-methyl-3-(1-methylundecylthio)-2-phenyl-propionic acid Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O2S/c1-4-5-6-7-8-9-10-12-15-19(2)25-18-22(3,21(23)24)20-16-13-11-14-17-20/h11,13-14,16-17,19H,4-10,12,15,18H2,1-3H3,(H,23,24)