[6-(4-methylphenyl)carbonylperoxycarbonyloxy-3,4-bis[(4-methylphenyl)carbonylperoxycarbonyloxymethyl]hexoxy]carbonyl 4-methylbenzenecarboperoxoate

Systemtic Name: [6-(4-methylphenyl)carbonylperoxycarbonyloxy-3,4-bis[(4-methylphenyl)carbonylperoxycarbonyloxymethyl]hexoxy]carbonyl 4-methylbenzenecarboperoxoate Openeye Name: [6-(4-methylbenzoyl)peroxycarbonyloxy-3,4-bis[(4-methylbenzoyl)peroxycarbonyloxymethyl]hexoxy]carbonyl 4-methylbenzenecarboperoxoate CAS Name: 4-methylbenzenecarboperoxoic acid [[6-[[(4-methylphenyl)-oxomethyl]dioxy-oxomethoxy]-3,4-bis[[[(4-methylphenyl)-oxomethyl]dioxy-oxomethoxy]methyl]hexoxy]-oxomethyl] ester IUPAC Name: [6-(4-methylbenzoyl)peroxycarbonyloxy-3,4-bis[(4-methylbenzoyl)peroxycarbonyloxymethyl]hexoxy]carbonyl 4-methylbenzenecarboperoxoate Traditional Name: 4-methylbenzenecarboperoxoic acid [6-p-toluoylperoxycarbonyloxy-3,4-bis(p-toluoylperoxycarbonyloxymethyl)hexoxy]carbonyl ester Formula: C44H42O20 MolecularWeight: 890.79228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)C2=CC=C(C=C2)C)C(CCOC(=O)OOC(=O)C3=CC=C(C=C3)C)COC(=O)OOC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)C2=CC=C(C=C2)C)C(CCOC(=O)OOC(=O)C3=CC=C(C=C3)C)COC(=O)OOC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C44H42O20/c1-27-5-13-31(14-6-27)37(45)57-61-41(49)53-23-21-35(25-55-43(51)63-59-39(47)33-17-9-29(3)10-18-33)36(26-56-44(52)64-60-40(48)34-19-11-30(4)12-20-34)22-24-54-42(50)62-58-38(46)32-15-7-28(2)8-16-32/h5-20,35-36H,21-26H2,1-4H3