6,6-bis(2-methylpentan-2-ylperoxycarbonyl)-3-(phenylcarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid

Systemtic Name: 6,6-bis(2-methylpentan-2-ylperoxycarbonyl)-3-(phenylcarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Openeye Name: 3-benzoyl-6,6-bis(1,1-dimethylbutylperoxycarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid CAS Name: 3-benzoyl-6,6-bis[2-methylpentan-2-yldioxy(oxo)methyl]cyclohexa-2,4-diene-1,1-dicarboxylic acid IUPAC Name: 3-benzoyl-6,6-bis(2-methylpentan-2-ylperoxycarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Traditional Name: 3-benzoyl-6,6-bis(1,1-dimethylbutylperoxycarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Formula: C29H36O11 MolecularWeight: 560.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)OOC(=O)C1(C=CC(=CC1(C(=O)O)C(=O)O)C(=O)C2=CC=CC=C2)C(=O)OOC(C)(C)CCC

Isomeric SMILES

CCCC(C)(C)OOC(=O)C1(C=CC(=CC1(C(=O)O)C(=O)O)C(=O)C2=CC=CC=C2)C(=O)OOC(C)(C)CCC

InChI

InChI=1S/C29H36O11/c1-7-15-26(3,4)39-37-24(35)28(25(36)38-40-27(5,6)16-8-2)17-14-20(18-29(28,22(31)32)23(33)34)21(30)19-12-10-9-11-13-19/h9-14,17-18H,7-8,15-16H2,1-6H3,(H,31,32)(H,33,34)