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

Systemtic Name: 3,8,10-tris(chloranyl)-5-phenylazanyl-3a,5a-dihydropyrene-1,6-dione Openeye Name: 5-anilino-3,8,10-trichloro-3a,5a-dihydropyrene-1,6-dione CAS Name: 5-anilino-3,8,10-trichloro-3a,5a-dihydropyrene-1,6-dione IUPAC Name: 5-anilino-3,8,10-trichloro-3a,5a-dihydropyrene-1,6-dione Traditional Name: 5-anilino-3,8,10-trichloro-3a,5a-dihydropyrene-1,6-quinone Formula: C22H12Cl3NO2 MolecularWeight: 428.69518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3C(=CC(=O)C4=C(C=C5C(=CC(=O)C2C5=C34)Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3C(=CC(=O)C4=C(C=C5C(=CC(=O)C2C5=C34)Cl)Cl)Cl

InChI

InChI=1S/C22H12Cl3NO2/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/h1-9,12,22,26H