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

Systemtic Name: 5-(nonadecylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(nonadecylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(nonadecylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(nonadecylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(nonadecylamino)isophthalic acid Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-25-21-23(26(29)30)20-24(22-25)27(31)32/h20-22,28H,2-19H2,1H3,(H,29,30)(H,31,32)