6,6-bis(tert-butylperoxycarbonyl)-3-(phenylcarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid

Systemtic Name: 6,6-bis(tert-butylperoxycarbonyl)-3-(phenylcarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Openeye Name: 3-benzoyl-6,6-bis(tert-butylperoxycarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid CAS Name: 3-benzoyl-6,6-bis[tert-butyldioxy(oxo)methyl]cyclohexa-2,4-diene-1,1-dicarboxylic acid IUPAC Name: 3-benzoyl-6,6-bis(tert-butylperoxycarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Traditional Name: 3-benzoyl-6,6-bis(tert-butylperoxycarbonyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Formula: C25H28O11 MolecularWeight: 504.48322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(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)C

Isomeric SMILES

CC(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)C

InChI

InChI=1S/C25H28O11/c1-22(2,3)35-33-20(31)24(21(32)34-36-23(4,5)6)13-12-16(14-25(24,18(27)28)19(29)30)17(26)15-10-8-7-9-11-15/h7-14H,1-6H3,(H,27,28)(H,29,30)