trioctyl benzene-1,2,4-tricarboxylate; tris-decyl benzene-1,2,4-tricarboxylate

Systemtic Name: trioctyl benzene-1,2,4-tricarboxylate; tris-decyl benzene-1,2,4-tricarboxylate Openeye Name: trioctyl benzene-1,2,4-tricarboxylate; tris-decyl benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid trioctyl ester; benzene-1,2,4-tricarboxylic acid tris-decyl ester IUPAC Name: trioctyl benzene-1,2,4-tricarboxylate; tris-decyl benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid trioctyl ester; benzene-1,2,4-tricarboxylic acid tris-decyl ester Formula: C72H120O12 MolecularWeight: 1177.716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCCC.CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCCC.CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC

InChI

InChI=1S/C39H66O6.C33H54O6/c1-4-7-10-13-16-19-22-25-30-43-37(40)34-28-29-35(38(41)44-31-26-23-20-17-14-11-8-5-2)36(33-34)39(42)45-32-27-24-21-18-15-12-9-6-3;1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h28-29,33H,4-27,30-32H2,1-3H3;22-23,27H,4-21,24-26H2,1-3H3