2,5-bis(chloranyl)-3,6-bis(pyren-1-ylamino)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(chloranyl)-3,6-bis(pyren-1-ylamino)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-dichloro-3,6-bis(pyren-1-ylamino)-1,4-benzoquinone CAS Name: 2,5-dichloro-3,6-bis(1-pyrenylamino)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-dichloro-3,6-bis(pyren-1-ylamino)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-dichloro-3,6-bis(pyren-1-ylamino)-p-benzoquinone Formula: C38H20Cl2N2O2 MolecularWeight: 607.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC5=C(C(=O)C(=C(C5=O)Cl)NC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC5=C(C(=O)C(=C(C5=O)Cl)NC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)Cl

InChI

InChI=1S/C38H20Cl2N2O2/c39-33-35(41-27-17-13-23-9-7-19-3-1-5-21-11-15-25(27)31(23)29(19)21)37(43)34(40)36(38(33)44)42-28-18-14-24-10-8-20-4-2-6-22-12-16-26(28)32(24)30(20)22/h1-18,41-42H