2,2-bis[(4-pentylphenyl)carbonylperoxycarbonyloxymethyl]butoxycarbonyl 4-pentylbenzenecarboperoxoate

Systemtic Name: 2,2-bis[(4-pentylphenyl)carbonylperoxycarbonyloxymethyl]butoxycarbonyl 4-pentylbenzenecarboperoxoate Openeye Name: 2,2-bis[(4-pentylbenzoyl)peroxycarbonyloxymethyl]butoxycarbonyl 4-pentylbenzenecarboperoxoate CAS Name: 4-pentylbenzenecarboperoxoic acid [2,2-bis[[oxo-[oxo-(4-pentylphenyl)methyl]dioxymethoxy]methyl]butoxy-oxomethyl] ester IUPAC Name: 2,2-bis[(4-pentylbenzoyl)peroxycarbonyloxymethyl]butoxycarbonyl 4-pentylbenzenecarboperoxoate Traditional Name: 4-amylbenzenecarboperoxoic acid 2,2-bis[(4-amylbenzoyl)peroxycarbonyloxymethyl]butoxycarbonyl ester Formula: C45H56O15 MolecularWeight: 836.91714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OOC(=O)OCC(CC)(COC(=O)OOC(=O)C2=CC=C(C=C2)CCCCC)COC(=O)OOC(=O)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OOC(=O)OCC(CC)(COC(=O)OOC(=O)C2=CC=C(C=C2)CCCCC)COC(=O)OOC(=O)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C45H56O15/c1-5-9-12-15-33-18-24-36(25-19-33)39(46)55-58-42(49)52-30-45(8-4,31-53-43(50)59-56-40(47)37-26-20-34(21-27-37)16-13-10-6-2)32-54-44(51)60-57-41(48)38-28-22-35(23-29-38)17-14-11-7-3/h18-29H,5-17,30-32H2,1-4H3