1,3-dimethyl-6-(2-methylbutan-2-yl)-4,10-bis(oxidanylidene)-7H-1,7-phenanthroline-2,8-dicarboxylic acid

Systemtic Name: 1,3-dimethyl-6-(2-methylbutan-2-yl)-4,10-bis(oxidanylidene)-7H-1,7-phenanthroline-2,8-dicarboxylic acid Openeye Name: 6-(1,1-dimethylpropyl)-1,3-dimethyl-4,10-dioxo-7H-1,7-phenanthroline-2,8-dicarboxylic acid CAS Name: 1,3-dimethyl-6-(2-methylbutan-2-yl)-4,10-dioxo-7H-1,7-phenanthroline-2,8-dicarboxylic acid IUPAC Name: 1,3-dimethyl-6-(2-methylbutan-2-yl)-4,10-dioxo-7H-1,7-phenanthroline-2,8-dicarboxylic acid Traditional Name: 6-tert-amyl-4,10-diketo-1,3-dimethyl-7H-1,7-phenanthroline-2,8-dicarboxylic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C2C(=C3C(=C1)C(=O)C(=C(N3C)C(=O)O)C)C(=O)C=C(N2)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=C2C(=C3C(=C1)C(=O)C(=C(N3C)C(=O)O)C)C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C21H22N2O6/c1-6-21(3,4)11-7-10-17(23(5)16(20(28)29)9(2)18(10)25)14-13(24)8-12(19(26)27)22-15(11)14/h7-8H,6H2,1-5H3,(H,22,24)(H,26,27)(H,28,29)