4,5,6-tris(2-methylheptan-2-yloxycarbonyl)benzene-1,2,3-tricarboxylic acid

Systemtic Name: 4,5,6-tris(2-methylheptan-2-yloxycarbonyl)benzene-1,2,3-tricarboxylic acid Openeye Name: 4,5,6-tris(1,1-dimethylhexoxycarbonyl)benzene-1,2,3-tricarboxylic acid CAS Name: 4,5,6-tris[2-methylheptan-2-yloxy(oxo)methyl]benzene-1,2,3-tricarboxylic acid IUPAC Name: 4,5,6-tris(2-methylheptan-2-yloxycarbonyl)benzene-1,2,3-tricarboxylic acid Traditional Name: 4,5,6-tris(1,1-dimethylhexoxycarbonyl)hemimellitic acid Formula: C36H54O12 MolecularWeight: 678.80676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)OC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OC(C)(C)CCCCC)C(=O)OC(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)OC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OC(C)(C)CCCCC)C(=O)OC(C)(C)CCCCC

InChI

InChI=1S/C36H54O12/c1-10-13-16-19-34(4,5)46-31(43)25-23(29(39)40)22(28(37)38)24(30(41)42)26(32(44)47-35(6,7)20-17-14-11-2)27(25)33(45)48-36(8,9)21-18-15-12-3/h10-21H2,1-9H3,(H,37,38)(H,39,40)(H,41,42)