3,5-dioctadecylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5-dioctadecylbenzene-1,2,4-tricarboxylic acid Openeye Name: 3,5-dioctadecylbenzene-1,2,4-tricarboxylic acid CAS Name: 3,5-dioctadecylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5-dioctadecylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3,5-distearyltrimellitic acid Formula: C45H78O6 MolecularWeight: 715.09722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C45H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(43(46)47)42(45(50)51)39(41(38)44(48)49)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,46,47)(H,48,49)(H,50,51)