(3aR)-3,8,10-tris(chloranyl)-6-oxidanyl-5-phenylazanyl-3aH-pyren-1-one

Systemtic Name: (3aR)-3,8,10-tris(chloranyl)-6-oxidanyl-5-phenylazanyl-3aH-pyren-1-one Openeye Name: (3aR)-5-anilino-3,8,10-trichloro-6-hydroxy-3aH-pyren-1-one CAS Name: (3aR)-5-anilino-3,8,10-trichloro-6-hydroxy-3aH-pyren-1-one IUPAC Name: (3aR)-5-anilino-3,8,10-trichloro-6-hydroxy-3aH-pyren-1-one Traditional Name: (3aR)-5-anilino-3,8,10-trichloro-6-hydroxy-3aH-pyren-1-one Formula: C22H12Cl3NO2 MolecularWeight: 428.69518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)NC2=C[C@H]3C(=CC(=O)C4=C(C=C5C(=CC(=C2C5=C34)O)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/h1-9,12,26,28H/t12-/m0/s1