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

Systemtic Name: 3,5,8-tris(chloranyl)-10-phenylazanyl-pyrene-1,6-dione Openeye Name: 5-anilino-3,8,10-trichloro-pyrene-1,6-dione CAS Name: 5-anilino-3,8,10-trichloropyrene-1,6-dione IUPAC Name: 5-anilino-3,8,10-trichloropyrene-1,6-dione Traditional Name: 5-anilino-3,8,10-trichloro-pyrene-1,6-quinone Formula: C22H10Cl3NO2 MolecularWeight: 426.6793

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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H10Cl3NO2/c23-13-9-18(28)22-16(26-10-4-2-1-3-5-10)7-12-14(24)8-17(27)21-15(25)6-11(13)20(22)19(12)21/h1-9,26H