3-octadecan-9-ylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 3-octadecan-9-ylbenzene-1,2,4-tricarboxylic acid Openeye Name: 3-(1-octyldecyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3-octadecan-9-ylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3-octadecan-9-ylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3-(1-octyldecyl)trimellitic acid Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)C1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)C1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C27H42O6/c1-3-5-7-9-11-13-15-17-20(16-14-12-10-8-6-4-2)23-21(25(28)29)18-19-22(26(30)31)24(23)27(32)33/h18-20H,3-17H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)