4-(4-methylphenyl)-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4-(4-methylphenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4-(p-tolyl)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4-(4-methylphenyl)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4-(4-methylphenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4-(p-tolyl)-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C21H14N2O4/c1-11-2-4-12(5-3-11)15-10-17(21(26)27)23-19-14(15)8-6-13-7-9-16(20(24)25)22-18(13)19/h2-10H,1H3,(H,24,25)(H,26,27)