5-(tridecylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(tridecylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(tridecylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(tridecylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(tridecylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(tridecylamino)isophthalic acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-19-15-17(20(23)24)14-18(16-19)21(25)26/h14-16,22H,2-13H2,1H3,(H,23,24)(H,25,26)