phenyl 2,2-dimethyl-3-(5-sulfanylpentoxy)hexaneperoxoate

Systemtic Name: phenyl 2,2-dimethyl-3-(5-sulfanylpentoxy)hexaneperoxoate Openeye Name: phenyl 2,2-dimethyl-3-(5-sulfanylpentoxy)hexaneperoxoate CAS Name: 3-(5-mercaptopentoxy)-2,2-dimethylhexaneperoxoic acid phenyl ester IUPAC Name: phenyl 2,2-dimethyl-3-(5-sulfanylpentoxy)hexaneperoxoate Traditional Name: 3-(5-mercaptopentoxy)-2,2-dimethyl-hexaneperoxoic acid phenyl ester Formula: C19H30O4S MolecularWeight: 354.5041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)C(=O)OOC1=CC=CC=C1)OCCCCCS

Isomeric SMILES

CCCC(C(C)(C)C(=O)OOC1=CC=CC=C1)OCCCCCS

InChI

InChI=1S/C19H30O4S/c1-4-11-17(21-14-9-6-10-15-24)19(2,3)18(20)23-22-16-12-7-5-8-13-16/h5,7-8,12-13,17,24H,4,6,9-11,14-15H2,1-3H3