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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=C(C(=C1C(=O)O)CC(CC)CCCC)C(=O)O)CC(CC)CCCC)C(=O)O

Isomeric SMILES

CCCCC(CC)CC1=C(C(=C(C(=C1C(=O)O)CC(CC)CCCC)C(=O)O)CC(CC)CCCC)C(=O)O

InChI

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