2,2-bis[(3,4-dimethoxyphenyl)carbonylperoxycarbonyloxymethyl]pentoxycarbonyl 3,4-dimethoxybenzenecarboperoxoate

Systemtic Name: 2,2-bis[(3,4-dimethoxyphenyl)carbonylperoxycarbonyloxymethyl]pentoxycarbonyl 3,4-dimethoxybenzenecarboperoxoate Openeye Name: 2,2-bis[(3,4-dimethoxybenzoyl)peroxycarbonyloxymethyl]pentoxycarbonyl 3,4-dimethoxybenzenecarboperoxoate CAS Name: 3,4-dimethoxybenzenecarboperoxoic acid [2,2-bis[[[(3,4-dimethoxyphenyl)-oxomethyl]dioxy-oxomethoxy]methyl]pentoxy-oxomethyl] ester IUPAC Name: 2,2-bis[(3,4-dimethoxybenzoyl)peroxycarbonyloxymethyl]pentoxycarbonyl 3,4-dimethoxybenzenecarboperoxoate Traditional Name: 3,4-dimethoxybenzenecarboperoxoic acid 2,2-bis(veratroylperoxycarbonyloxymethyl)pentoxycarbonyl ester Formula: C37H40O21 MolecularWeight: 820.7009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(COC(=O)OOC(=O)C1=CC(=C(C=C1)OC)OC)(COC(=O)OOC(=O)C2=CC(=C(C=C2)OC)OC)COC(=O)OOC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC(COC(=O)OOC(=O)C1=CC(=C(C=C1)OC)OC)(COC(=O)OOC(=O)C2=CC(=C(C=C2)OC)OC)COC(=O)OOC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C37H40O21/c1-8-15-37(19-50-34(41)56-53-31(38)22-9-12-25(44-2)28(16-22)47-5,20-51-35(42)57-54-32(39)23-10-13-26(45-3)29(17-23)48-6)21-52-36(43)58-55-33(40)24-11-14-27(46-4)30(18-24)49-7/h9-14,16-18H,8,15,19-21H2,1-7H3