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

Systemtic Name: 3-(2-butyloctylsulfanyl)-2-methyl-2-phenyl-propanoic acid Openeye Name: 3-(2-butyloctylsulfanyl)-2-methyl-2-phenyl-propanoic acid CAS Name: 3-(2-butyloctylthio)-2-methyl-2-phenylpropanoic acid IUPAC Name: 3-(2-butyloctylsulfanyl)-2-methyl-2-phenylpropanoic acid Traditional Name: 3-(2-butyloctylthio)-2-methyl-2-phenyl-propionic acid Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CSCC(C)(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCC(CCCC)CSCC(C)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H36O2S/c1-4-6-8-10-14-19(13-7-5-2)17-25-18-22(3,21(23)24)20-15-11-9-12-16-20/h9,11-12,15-16,19H,4-8,10,13-14,17-18H2,1-3H3,(H,23,24)