3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylate

Systemtic Name: 3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylate Openeye Name: 3,5,6-tris(1-ethylhexyl)benzene-1,2,4-tricarboxylate CAS Name: 3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylate IUPAC Name: 3,5,6-tri(octan-3-yl)benzene-1,2,4-tricarboxylate Traditional Name: 3,5,6-tris(1-ethylhexyl)benzene-1,2,4-tricarboxylate Formula: C33H51O6-3 MolecularWeight: 543.75444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=C(C(=C1C(=O)[O-])C(CC)CCCCC)C(=O)[O-])C(=O)[O-])C(CC)CCCCC

Isomeric SMILES

CCCCCC(CC)C1=C(C(=C(C(=C1C(=O)[O-])C(CC)CCCCC)C(=O)[O-])C(=O)[O-])C(CC)CCCCC

InChI

InChI=1S/C33H54O6/c1-7-13-16-19-22(10-4)25-26(23(11-5)20-17-14-8-2)29(32(36)37)30(33(38)39)27(28(25)31(34)35)24(12-6)21-18-15-9-3/h22-24H,7-21H2,1-6H3,(H,34,35)(H,36,37)(H,38,39)/p-3