1-(3-azanyl-12-oxidanylidene-7H-benzo[a]anthracen-5-yl)-6,7-bis(chloranyl)anthracene-9,10-dione

Systemtic Name: 1-(3-azanyl-12-oxidanylidene-7H-benzo[a]anthracen-5-yl)-6,7-bis(chloranyl)anthracene-9,10-dione Openeye Name: 1-(3-amino-12-oxo-7H-benzo[a]anthracen-5-yl)-6,7-dichloro-anthracene-9,10-dione CAS Name: 1-(3-amino-12-oxo-7H-benzo[a]anthracen-5-yl)-6,7-dichloroanthracene-9,10-dione IUPAC Name: 1-(3-amino-12-oxo-7H-benzo[a]anthracen-5-yl)-6,7-dichloroanthracene-9,10-dione Traditional Name: 1-(3-amino-12-keto-7H-benz[a]anthracen-5-yl)-6,7-dichloro-9,10-anthraquinone Formula: C32H17Cl2NO3 MolecularWeight: 534.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C1C=C(C4=C3C=CC(=C4)N)C5=C6C(=CC=C5)C(=O)C7=CC(=C(C=C7C6=O)Cl)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C1C=C(C4=C3C=CC(=C4)N)C5=C6C(=CC=C5)C(=O)C7=CC(=C(C=C7C6=O)Cl)Cl

InChI

InChI=1S/C32H17Cl2NO3/c33-26-13-24-25(14-27(26)34)32(38)29-19(6-3-7-21(29)30(24)36)22-11-16-10-15-4-1-2-5-18(15)31(37)28(16)20-9-8-17(35)12-23(20)22/h1-9,11-14H,10,35H2