4-(pentylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(pentylamino)benzene-1,3-dicarboxylic acid Openeye Name: 4-(pentylamino)benzene-1,3-dicarboxylic acid CAS Name: 4-(pentylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(pentylamino)benzene-1,3-dicarboxylic acid Traditional Name: 4-(amylamino)isophthalic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-2-3-4-7-14-11-6-5-9(12(15)16)8-10(11)13(17)18/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)(H,17,18)