3,5,6-tris(2-methylpentan-2-ylperoxy)benzene-1,2,4-tricarboxylate

Systemtic Name: 3,5,6-tris(2-methylpentan-2-ylperoxy)benzene-1,2,4-tricarboxylate Openeye Name: 3,5,6-tris(1,1-dimethylbutylperoxy)benzene-1,2,4-tricarboxylate CAS Name: 3,5,6-tris(2-methylpentan-2-yldioxy)benzene-1,2,4-tricarboxylate IUPAC Name: 3,5,6-tris(2-methylpentan-2-ylperoxy)benzene-1,2,4-tricarboxylate Traditional Name: 3,5,6-tris(1,1-dimethylbutylperoxy)benzene-1,2,4-tricarboxylate Formula: C27H39O12-3 MolecularWeight: 555.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)OOC1=C(C(=C(C(=C1C(=O)[O-])C(=O)[O-])OOC(C)(C)CCC)OOC(C)(C)CCC)C(=O)[O-]

Isomeric SMILES

CCCC(C)(C)OOC1=C(C(=C(C(=C1C(=O)[O-])C(=O)[O-])OOC(C)(C)CCC)OOC(C)(C)CCC)C(=O)[O-]

InChI

InChI=1S/C27H42O12/c1-10-13-25(4,5)37-34-19-16(22(28)29)17(23(30)31)20(35-38-26(6,7)14-11-2)21(18(19)24(32)33)36-39-27(8,9)15-12-3/h10-15H2,1-9H3,(H,28,29)(H,30,31)(H,32,33)/p-3