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

Systemtic Name: 5-(dodecylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(dodecylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(dodecylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(dodecylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(laurylamino)isophthalic acid Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-21-18-14-16(19(22)23)13-17(15-18)20(24)25/h13-15,21H,2-12H2,1H3,(H,22,23)(H,24,25)