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

Systemtic Name: 4-[[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]benzonitrile CAS Name: 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]benzonitrile IUPAC Name: 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]benzonitrile Traditional Name: 4-[(1,8-dihydroxy-9-keto-10H-anthracen-2-yl)methyl]benzonitrile Formula: C22H15NO3 MolecularWeight: 341.3594

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC(=C3O)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC(=C3O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H15NO3/c23-12-14-6-4-13(5-7-14)10-17-9-8-16-11-15-2-1-3-18(24)19(15)22(26)20(16)21(17)25/h1-9,24-25H,10-11H2