3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(1-ethylhexyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(1-ethylhexyl)trimellitic acid Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54O6/c1-7-13-16-19-22(10-4)25-26(23(11-5)20-17-14-8-2)29(32(36)37)30(33(38)39)27(28(25)31(34)35)24(12-6)21-18-15-9-3/h22-24H,7-21H2,1-6H3,(H,34,35)(H,36,37)(H,38,39)