4-[[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)benzonitrile CAS Name: 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-oxomethyl]benzonitrile IUPAC Name: 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)benzonitrile Traditional Name: 4-(1,8-dihydroxy-9-keto-10H-anthracene-2-carbonyl)benzonitrile Formula: C22H13NO4 MolecularWeight: 355.34292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC(=C3O)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC(=C3O)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H13NO4/c23-11-12-4-6-13(7-5-12)20(25)16-9-8-15-10-14-2-1-3-17(24)18(14)22(27)19(15)21(16)26/h1-9,24,26H,10H2