5-(undecylamino)benzene-1,2,3-tricarboxylic acid

Systemtic Name: 5-(undecylamino)benzene-1,2,3-tricarboxylic acid Openeye Name: 5-(undecylamino)benzene-1,2,3-tricarboxylic acid CAS Name: 5-(undecylamino)benzene-1,2,3-tricarboxylic acid IUPAC Name: 5-(undecylamino)benzene-1,2,3-tricarboxylic acid Traditional Name: 5-(undecylamino)hemimellitic acid Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H29NO6/c1-2-3-4-5-6-7-8-9-10-11-21-14-12-15(18(22)23)17(20(26)27)16(13-14)19(24)25/h12-13,21H,2-11H2,1H3,(H,22,23)(H,24,25)(H,26,27)