2-[3-(2,2-dimethyl-3-octadecoxy-3-oxidanylidene-propyl)sulfanylprop-1-en-2-ylperoxy]ethyl 2,2-dimethyl-4-phenyl-hexanoate

Systemtic Name: 2-[3-(2,2-dimethyl-3-octadecoxy-3-oxidanylidene-propyl)sulfanylprop-1-en-2-ylperoxy]ethyl 2,2-dimethyl-4-phenyl-hexanoate Openeye Name: 2-[1-[(2,2-dimethyl-3-octadecoxy-3-oxo-propyl)sulfanylmethyl]vinylperoxy]ethyl 2,2-dimethyl-4-phenyl-hexanoate CAS Name: 2,2-dimethyl-4-phenylhexanoic acid 2-[3-[(2,2-dimethyl-3-octadecoxy-3-oxopropyl)thio]prop-1-en-2-yldioxy]ethyl ester IUPAC Name: 2-[3-(2,2-dimethyl-3-octadecoxy-3-oxopropyl)sulfanylprop-1-en-2-ylperoxy]ethyl 2,2-dimethyl-4-phenylhexanoate Traditional Name: 2,2-dimethyl-4-phenyl-hexanoic acid 2-[1-[[(3-keto-2,2-dimethyl-3-stearyloxy-propyl)thio]methyl]vinylperoxy]ethyl ester Formula: C42H72O6S MolecularWeight: 705.08248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)CSCC(=C)OOCCOC(=O)C(C)(C)CC(CC)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)CSCC(=C)OOCCOC(=O)C(C)(C)CC(CC)C1=CC=CC=C1

InChI

InChI=1S/C42H72O6S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-45-40(44)42(6,7)35-49-34-36(3)48-47-32-31-46-39(43)41(4,5)33-37(9-2)38-28-25-24-26-29-38/h24-26,28-29,37H,3,8-23,27,30-35H2,1-2,4-7H3