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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C25H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-19-17-20(23(27)28)22(25(31)32)21(18-19)24(29)30/h17-18,26H,2-16H2,1H3,(H,27,28)(H,29,30)(H,31,32)