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

Systemtic Name: 5-(decylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(decylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(decylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(decylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(decylamino)isophthalic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-19-16-12-14(17(20)21)11-15(13-16)18(22)23/h11-13,19H,2-10H2,1H3,(H,20,21)(H,22,23)