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

Systemtic Name: 3,5,6-tributylbenzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tributylbenzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tributylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tributylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tributyltrimellitic acid Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1C(=O)O)CCCC)C(=O)O)C(=O)O)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1C(=O)O)CCCC)C(=O)O)C(=O)O)CCCC

InChI

InChI=1S/C21H30O6/c1-4-7-10-13-14(11-8-5-2)17(20(24)25)18(21(26)27)15(12-9-6-3)16(13)19(22)23/h4-12H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)