6-butyl-4,10-bis(oxidanylidene)-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid

Systemtic Name: 6-butyl-4,10-bis(oxidanylidene)-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid Openeye Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid CAS Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid IUPAC Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid Traditional Name: 6-butyl-4,10-diketo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C3C(=C1)C(=O)C=C(N3)C(=O)O)C(=O)C=C(N2)C(=O)O

Isomeric SMILES

CCCCC1=C2C(=C3C(=C1)C(=O)C=C(N3)C(=O)O)C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)