3,5,6-tris(7-methyloctyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tris(7-methyloctyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(7-methyloctyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris(7-methyloctyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris(7-methyloctyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(7-methyloctyl)trimellitic acid Formula: C36H60O6 MolecularWeight: 588.858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCC(C)C)C(=O)O)C(=O)O)CCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCC(C)C)C(=O)O)C(=O)O)CCCCCCC(C)C

InChI

InChI=1S/C36H60O6/c1-25(2)19-13-7-10-16-22-28-29(23-17-11-8-14-20-26(3)4)32(35(39)40)33(36(41)42)30(31(28)34(37)38)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3,(H,37,38)(H,39,40)(H,41,42)