3,5,6-tri(octadecan-9-yl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tri(octadecan-9-yl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(1-octyldecyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tri(octadecan-9-yl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tri(octadecan-9-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(1-octyldecyl)trimellitic acid Formula: C63H114O6 MolecularWeight: 967.57566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)C1=C(C(=C(C(=C1C(=O)O)C(CCCCCCCC)CCCCCCCCC)C(=O)O)C(=O)O)C(CCCCCCCC)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)C1=C(C(=C(C(=C1C(=O)O)C(CCCCCCCC)CCCCCCCCC)C(=O)O)C(=O)O)C(CCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C63H114O6/c1-7-13-19-25-31-37-43-47-52(46-40-34-28-22-16-10-4)55-56(53(48-41-35-29-23-17-11-5)49-44-38-32-26-20-14-8-2)59(62(66)67)60(63(68)69)57(58(55)61(64)65)54(50-42-36-30-24-18-12-6)51-45-39-33-27-21-15-9-3/h52-54H,7-51H2,1-6H3,(H,64,65)(H,66,67)(H,68,69)