3,5,6-trihexylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-trihexylbenzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-trihexylbenzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-trihexylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-trihexylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-trihexyltrimellitic acid Formula: C27H42O6 MolecularWeight: 462.61878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCC)C(=O)O)C(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCC)C(=O)O)C(=O)O)CCCCCC

InChI

InChI=1S/C27H42O6/c1-4-7-10-13-16-19-20(17-14-11-8-5-2)23(26(30)31)24(27(32)33)21(22(19)25(28)29)18-15-12-9-6-3/h4-18H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)