[3-[3-(2,2-dimethylpropylsulfanyl)prop-1-en-2-ylperoxy]-2-oxidanyl-propyl] 2,2-dimethyl-4-phenyl-hexanoate

Systemtic Name: [3-[3-(2,2-dimethylpropylsulfanyl)prop-1-en-2-ylperoxy]-2-oxidanyl-propyl] 2,2-dimethyl-4-phenyl-hexanoate Openeye Name: [3-[1-(2,2-dimethylpropylsulfanylmethyl)vinylperoxy]-2-hydroxy-propyl] 2,2-dimethyl-4-phenyl-hexanoate CAS Name: 2,2-dimethyl-4-phenylhexanoic acid [3-[3-(2,2-dimethylpropylthio)prop-1-en-2-yldioxy]-2-hydroxypropyl] ester IUPAC Name: [3-[3-(2,2-dimethylpropylsulfanyl)prop-1-en-2-ylperoxy]-2-hydroxypropyl] 2,2-dimethyl-4-phenylhexanoate Traditional Name: 2,2-dimethyl-4-phenyl-hexanoic acid [2-hydroxy-3-[1-[(neopentylthio)methyl]vinylperoxy]propyl] ester Formula: C25H40O5S MolecularWeight: 452.6471

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C(=O)OCC(COOC(=C)CSCC(C)(C)C)O)C1=CC=CC=C1

Isomeric SMILES

CCC(CC(C)(C)C(=O)OCC(COOC(=C)CSCC(C)(C)C)O)C1=CC=CC=C1

InChI

InChI=1S/C25H40O5S/c1-8-20(21-12-10-9-11-13-21)14-25(6,7)23(27)28-15-22(26)16-29-30-19(2)17-31-18-24(3,4)5/h9-13,20,22,26H,2,8,14-18H2,1,3-7H3