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

Systemtic Name: 5-(dibutylamino)-6-(phenylcarbonyl)benzene-1,2,3,4-tetracarboxylic acid Openeye Name: 5-benzoyl-6-(dibutylamino)benzene-1,2,3,4-tetracarboxylic acid CAS Name: 5-benzoyl-6-(dibutylamino)benzene-1,2,3,4-tetracarboxylic acid IUPAC Name: 5-benzoyl-6-(dibutylamino)benzene-1,2,3,4-tetracarboxylic acid Traditional Name: 5-benzoyl-6-(dibutylamino)mellophanic acid Formula: C25H27NO9 MolecularWeight: 485.48318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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

CCCCN(CCCC)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/C25H27NO9/c1-3-5-12-26(13-6-4-2)20-18(21(27)14-10-8-7-9-11-14)16(23(30)31)15(22(28)29)17(24(32)33)19(20)25(34)35/h7-11H,3-6,12-13H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)