5-(diethylamino)-6-(phenylcarbonyl)benzene-1,2,3,4-tetracarboxylic acid

Systemtic Name: 5-(diethylamino)-6-(phenylcarbonyl)benzene-1,2,3,4-tetracarboxylic acid Openeye Name: 5-benzoyl-6-(diethylamino)benzene-1,2,3,4-tetracarboxylic acid CAS Name: 5-benzoyl-6-(diethylamino)benzene-1,2,3,4-tetracarboxylic acid IUPAC Name: 5-benzoyl-6-(diethylamino)benzene-1,2,3,4-tetracarboxylic acid Traditional Name: 5-benzoyl-6-(diethylamino)mellophanic acid Formula: C21H19NO9 MolecularWeight: 429.37686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H19NO9/c1-3-22(4-2)16-14(17(23)10-8-6-5-7-9-10)12(19(26)27)11(18(24)25)13(20(28)29)15(16)21(30)31/h5-9H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)(H,30,31)