dimethyl 3,6-dipyridin-3-ylpyrene-1,8-dicarboxylate

Systemtic Name: dimethyl 3,6-dipyridin-3-ylpyrene-1,8-dicarboxylate Openeye Name: dimethyl 3,6-bis(3-pyridyl)pyrene-1,8-dicarboxylate CAS Name: 3,6-bis(3-pyridinyl)pyrene-1,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,6-dipyridin-3-ylpyrene-1,8-dicarboxylate Traditional Name: 3,6-bis(3-pyridyl)pyrene-1,8-dicarboxylic acid dimethyl ester Formula: C30H20N2O4 MolecularWeight: 472.4908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)C5=CN=CC=C5)C6=CN=CC=C6)C(=O)OC

Isomeric SMILES

COC(=O)C1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)C5=CN=CC=C5)C6=CN=CC=C6)C(=O)OC

InChI

InChI=1S/C30H20N2O4/c1-35-29(33)25-13-23(17-5-3-11-31-15-17)19-7-8-20-24(18-6-4-12-32-16-18)14-26(30(34)36-2)22-10-9-21(25)27(19)28(20)22/h3-16H,1-2H3