5-[1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]pentanenitrile

Systemtic Name: 5-[1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]pentanenitrile Openeye Name: 5-(1,8-dihydroxy-9,10-dioxo-2-anthryl)pentanenitrile CAS Name: 5-(1,8-dihydroxy-9,10-dioxo-2-anthracenyl)pentanenitrile IUPAC Name: 5-(1,8-dihydroxy-9,10-dioxoanthracen-2-yl)pentanenitrile Traditional Name: 5-(1,8-dihydroxy-9,10-diketo-2-anthryl)valeronitrile Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)CCCCC#N

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)CCCCC#N

InChI

InChI=1S/C19H15NO4/c20-10-3-1-2-5-11-8-9-13-16(17(11)22)19(24)15-12(18(13)23)6-4-7-14(15)21/h4,6-9,21-22H,1-3,5H2