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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=C3C(=C1)C(=O)C(=C(N3C)C(=O)O)C)C(=O)C=C(N2)C(=O)O

Isomeric SMILES

CCCCCC1=C2C(=C3C(=C1)C(=O)C(=C(N3C)C(=O)O)C)C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C21H22N2O6/c1-4-5-6-7-11-8-12-18(23(3)17(21(28)29)10(2)19(12)25)15-14(24)9-13(20(26)27)22-16(11)15/h8-9H,4-7H2,1-3H3,(H,22,24)(H,26,27)(H,28,29)