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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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