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

Systemtic Name: 3,5,6-tris(2-methylpentan-2-ylperoxy)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(1,1-dimethylbutylperoxy)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris(2-methylpentan-2-yldioxy)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris(2-methylpentan-2-ylperoxy)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(1,1-dimethylbutylperoxy)trimellitic acid Formula: C27H42O12 MolecularWeight: 558.61518

Click to see the large picture

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)