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

Systemtic Name: 5-(heptadecylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(heptadecylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(heptadecylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(heptadecylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(heptadecylamino)isophthalic acid Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-23-19-21(24(27)28)18-22(20-23)25(29)30/h18-20,26H,2-17H2,1H3,(H,27,28)(H,29,30)