1,3,6,8-tetrakis(3-chlorophenyl)pyrene

Systemtic Name: 1,3,6,8-tetrakis(3-chlorophenyl)pyrene Openeye Name: 1,3,6,8-tetrakis(3-chlorophenyl)pyrene CAS Name: 1,3,6,8-tetrakis(3-chlorophenyl)pyrene IUPAC Name: 1,3,6,8-tetrakis(3-chlorophenyl)pyrene Traditional Name: 1,3,6,8-tetrakis(3-chlorophenyl)pyrene Formula: C40H22Cl4 MolecularWeight: 644.41468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC(=CC=C6)Cl)C7=CC(=CC=C7)Cl)C8=CC(=CC=C8)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC(=CC=C6)Cl)C7=CC(=CC=C7)Cl)C8=CC(=CC=C8)Cl

InChI

InChI=1S/C40H22Cl4/c41-27-9-1-5-23(17-27)35-21-36(24-6-2-10-28(42)18-24)32-15-16-34-38(26-8-4-12-30(44)20-26)22-37(25-7-3-11-29(43)19-25)33-14-13-31(35)39(32)40(33)34/h1-22H