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

Systemtic Name: 4-(hexanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 4-(hexanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 4-(1-oxohexylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(hexanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 4-(caproylamino)isophthalic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C14H17NO5/c1-2-3-4-5-12(16)15-11-7-6-9(13(17)18)8-10(11)14(19)20/h6-8H,2-5H2,1H3,(H,15,16)(H,17,18)(H,19,20)