5-(14-methylpentadecylamino)benzene-1,2,3-tricarboxylic acid

Systemtic Name: 5-(14-methylpentadecylamino)benzene-1,2,3-tricarboxylic acid Openeye Name: 5-(14-methylpentadecylamino)benzene-1,2,3-tricarboxylic acid CAS Name: 5-(14-methylpentadecylamino)benzene-1,2,3-tricarboxylic acid IUPAC Name: 5-(14-methylpentadecylamino)benzene-1,2,3-tricarboxylic acid Traditional Name: 5-(14-methylpentadecylamino)hemimellitic acid Formula: C25H39NO6 MolecularWeight: 449.58026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C25H39NO6/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-26-19-16-20(23(27)28)22(25(31)32)21(17-19)24(29)30/h16-18,26H,3-15H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)