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

Systemtic Name: 5-(nonadecylamino)benzene-1,2,3-tricarboxylic acid Openeye Name: 5-(nonadecylamino)benzene-1,2,3-tricarboxylic acid CAS Name: 5-(nonadecylamino)benzene-1,2,3-tricarboxylic acid IUPAC Name: 5-(nonadecylamino)benzene-1,2,3-tricarboxylic acid Traditional Name: 5-(nonadecylamino)hemimellitic acid Formula: C28H45NO6 MolecularWeight: 491.66

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C28H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-22-20-23(26(30)31)25(28(34)35)24(21-22)27(32)33/h20-21,29H,2-19H2,1H3,(H,30,31)(H,32,33)(H,34,35)