6-dodecylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 6-dodecylbenzene-1,2,4-tricarboxylic acid Openeye Name: 6-dodecylbenzene-1,2,4-tricarboxylic acid CAS Name: 6-dodecylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 6-dodecylbenzene-1,2,4-tricarboxylic acid Traditional Name: 6-lauryltrimellitic acid Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC(=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC(=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H30O6/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(19(22)23)14-17(20(24)25)18(15)21(26)27/h13-14H,2-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)