3,5,6-trioctylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-trioctylbenzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-trioctylbenzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-trioctylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-trioctylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-trioctyltrimellitic acid Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCC)C(=O)O)C(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCC)C(=O)O)C(=O)O)CCCCCCCC

InChI

InChI=1S/C33H54O6/c1-4-7-10-13-16-19-22-25-26(23-20-17-14-11-8-5-2)29(32(36)37)30(33(38)39)27(28(25)31(34)35)24-21-18-15-12-9-6-3/h4-24H2,1-3H3,(H,34,35)(H,36,37)(H,38,39)