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

Systemtic Name: 5-(pentadecylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(pentadecylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(pentadecylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(pentadecylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(pentadecylamino)isophthalic acid Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-21-17-19(22(25)26)16-20(18-21)23(27)28/h16-18,24H,2-15H2,1H3,(H,25,26)(H,27,28)