triheptyl benzene-1,2,4-tricarboxylate; trinonyl benzene-1,2,4-tricarboxylate

Systemtic Name: triheptyl benzene-1,2,4-tricarboxylate; trinonyl benzene-1,2,4-tricarboxylate Openeye Name: triheptyl benzene-1,2,4-tricarboxylate; trinonyl benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid triheptyl ester; benzene-1,2,4-tricarboxylic acid trinonyl ester IUPAC Name: triheptyl benzene-1,2,4-tricarboxylate; trinonyl benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid triheptyl ester; benzene-1,2,4-tricarboxylic acid trinonyl ester Formula: C66H108O12 MolecularWeight: 1093.55652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC.CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC.CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC)C(=O)OCCCCCCC

InChI

InChI=1S/C36H60O6.C30H48O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3;1-4-7-10-13-16-21-34-28(31)25-19-20-26(29(32)35-22-17-14-11-8-5-2)27(24-25)30(33)36-23-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3;19-20,24H,4-18,21-23H2,1-3H3