3,8-bis(chloranyl)-5,10-bis(phenylazanyl)pyrene-1,6-dione

Systemtic Name: 3,8-bis(chloranyl)-5,10-bis(phenylazanyl)pyrene-1,6-dione Openeye Name: 5,10-dianilino-3,8-dichloro-pyrene-1,6-dione CAS Name: 5,10-dianilino-3,8-dichloropyrene-1,6-dione IUPAC Name: 5,10-dianilino-3,8-dichloropyrene-1,6-dione Traditional Name: 5,10-dianilino-3,8-dichloro-pyrene-1,6-quinone Formula: C28H16Cl2N2O2 MolecularWeight: 483.34484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=O)C=C(C4=CC(=C5C(=O)C=C(C(=C2)C5=C43)Cl)NC6=CC=CC=C6)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=O)C=C(C4=CC(=C5C(=O)C=C(C(=C2)C5=C43)Cl)NC6=CC=CC=C6)Cl

InChI

InChI=1S/C28H16Cl2N2O2/c29-19-14-24(34)28-22(32-16-9-5-2-6-10-16)12-18-20(30)13-23(33)27-21(11-17(19)26(28)25(18)27)31-15-7-3-1-4-8-15/h1-14,31-32H