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

Systemtic Name: 5-(octadecylamino)benzene-1,2,3-tricarboxylic acid Openeye Name: 5-(octadecylamino)benzene-1,2,3-tricarboxylic acid CAS Name: 5-(octadecylamino)benzene-1,2,3-tricarboxylic acid IUPAC Name: 5-(octadecylamino)benzene-1,2,3-tricarboxylic acid Traditional Name: 5-(stearylamino)hemimellitic acid Formula: C27H43NO6 MolecularWeight: 477.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C27H43NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-21-19-22(25(29)30)24(27(33)34)23(20-21)26(31)32/h19-20,28H,2-18H2,1H3,(H,29,30)(H,31,32)(H,33,34)