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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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