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

Systemtic Name: 5-(octylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(octylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(octylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(octylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(octylamino)isophthalic acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCNC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H23NO4/c1-2-3-4-5-6-7-8-17-14-10-12(15(18)19)9-13(11-14)16(20)21/h9-11,17H,2-8H2,1H3,(H,18,19)(H,20,21)