[2,6-bis(phenylcarbonylperoxy)-3,4,5-triphosphonooxy-cyclohexyl] benzenecarboperoxoate

Systemtic Name: [2,6-bis(phenylcarbonylperoxy)-3,4,5-triphosphonooxy-cyclohexyl] benzenecarboperoxoate Openeye Name: [2,6-bis(benzoylperoxy)-3,4,5-triphosphonooxy-cyclohexyl] benzenecarboperoxoate CAS Name: benzenecarboperoxoic acid [2,6-bis(benzoyldioxy)-3,4,5-triphosphonooxycyclohexyl] ester IUPAC Name: [2,6-bis(benzoylperoxy)-3,4,5-triphosphonooxycyclohexyl] benzenecarboperoxoate Traditional Name: benzenecarboperoxoic acid [2,6-bis(benzoylperoxy)-3,4,5-triphosphonooxy-cyclohexyl] ester Formula: C27H27O21P3 MolecularWeight: 780.411963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OOC2C(C(C(C(C2OOC(=O)C3=CC=CC=C3)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OOC2C(C(C(C(C2OOC(=O)C3=CC=CC=C3)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27O21P3/c28-25(16-10-4-1-5-11-16)43-40-19-20(41-44-26(29)17-12-6-2-7-13-17)22(46-49(31,32)33)24(48-51(37,38)39)23(47-50(34,35)36)21(19)42-45-27(30)18-14-8-3-9-15-18/h1-15,19-24H,(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)