3,9-bis(pyridin-2-ylmethyl)fluoranthene-1,2-dicarboxylic acid

Systemtic Name: 3,9-bis(pyridin-2-ylmethyl)fluoranthene-1,2-dicarboxylic acid Openeye Name: 3,9-bis(2-pyridylmethyl)fluoranthene-1,2-dicarboxylic acid CAS Name: 3,9-bis(2-pyridinylmethyl)fluoranthene-1,2-dicarboxylic acid IUPAC Name: 3,9-bis(pyridin-2-ylmethyl)fluoranthene-1,2-dicarboxylic acid Traditional Name: 3,9-bis(2-pyridylmethyl)fluoranthene-1,2-dicarboxylic acid Formula: C30H20N2O4 MolecularWeight: 472.4908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC2=CC3=C(C=C2)C4=CC=CC5=C4C3=C(C(=C5CC6=CC=CC=N6)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CC2=CC3=C(C=C2)C4=CC=CC5=C4C3=C(C(=C5CC6=CC=CC=N6)C(=O)O)C(=O)O

InChI

InChI=1S/C30H20N2O4/c33-29(34)27-24(16-19-7-2-4-13-32-19)22-9-5-8-21-20-11-10-17(14-18-6-1-3-12-31-18)15-23(20)26(25(21)22)28(27)30(35)36/h1-13,15H,14,16H2,(H,33,34)(H,35,36)