2,2-bis[(4-hexylphenyl)carbonylperoxycarbonyloxymethyl]pentoxycarbonyl 4-hexylbenzenecarboperoxoate

Systemtic Name: 2,2-bis[(4-hexylphenyl)carbonylperoxycarbonyloxymethyl]pentoxycarbonyl 4-hexylbenzenecarboperoxoate Openeye Name: 2,2-bis[(4-hexylbenzoyl)peroxycarbonyloxymethyl]pentoxycarbonyl 4-hexylbenzenecarboperoxoate CAS Name: 4-hexylbenzenecarboperoxoic acid [2,2-bis[[[(4-hexylphenyl)-oxomethyl]dioxy-oxomethoxy]methyl]pentoxy-oxomethyl] ester IUPAC Name: 2,2-bis[(4-hexylbenzoyl)peroxycarbonyloxymethyl]pentoxycarbonyl 4-hexylbenzenecarboperoxoate Traditional Name: 4-hexylbenzenecarboperoxoic acid 2,2-bis[(4-hexylbenzoyl)peroxycarbonyloxymethyl]pentoxycarbonyl ester Formula: C49H64O15 MolecularWeight: 893.02346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OOC(=O)OCC(CCC)(COC(=O)OOC(=O)C2=CC=C(C=C2)CCCCCC)COC(=O)OOC(=O)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OOC(=O)OCC(CCC)(COC(=O)OOC(=O)C2=CC=C(C=C2)CCCCCC)COC(=O)OOC(=O)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C49H64O15/c1-5-9-12-15-18-37-21-27-40(28-22-37)43(50)59-62-46(53)56-34-49(33-8-4,35-57-47(54)63-60-44(51)41-29-23-38(24-30-41)19-16-13-10-6-2)36-58-48(55)64-61-45(52)42-31-25-39(26-32-42)20-17-14-11-7-3/h21-32H,5-20,33-36H2,1-4H3