4-[4-(3-chloranylpropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4-[4-(3-chloranylpropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4-[4-(3-chloropropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4-[4-(3-chloropropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4-[4-(3-chloropropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4-[4-(3-chloropropyl)phenyl]-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C23H17ClN2O4 MolecularWeight: 420.84508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2C4=CC=C(C=C4)CCCCl)C(=O)O

Isomeric SMILES

C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2C4=CC=C(C=C4)CCCCl)C(=O)O

InChI

InChI=1S/C23H17ClN2O4/c24-11-1-2-13-3-5-14(6-4-13)17-12-19(23(29)30)26-21-16(17)9-7-15-8-10-18(22(27)28)25-20(15)21/h3-10,12H,1-2,11H2,(H,27,28)(H,29,30)