3,5,6-tris-decylbenzene-1,2,4-tricarboxylate

Systemtic Name: 3,5,6-tris-decylbenzene-1,2,4-tricarboxylate Openeye Name: 3,5,6-tris-decylbenzene-1,2,4-tricarboxylate CAS Name: 3,5,6-tris-decylbenzene-1,2,4-tricarboxylate IUPAC Name: 3,5,6-tris-decylbenzene-1,2,4-tricarboxylate Traditional Name: 3,5,6-tris-decylbenzene-1,2,4-tricarboxylate Formula: C39H63O6-3 MolecularWeight: 627.91392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C(=C1C(=O)[O-])CCCCCCCCCC)C(=O)[O-])C(=O)[O-])CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C(=C1C(=O)[O-])CCCCCCCCCC)C(=O)[O-])C(=O)[O-])CCCCCCCCCC

InChI

InChI=1S/C39H66O6/c1-4-7-10-13-16-19-22-25-28-31-32(29-26-23-20-17-14-11-8-5-2)35(38(42)43)36(39(44)45)33(34(31)37(40)41)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)/p-3