6-[9,10-bis(oxidanylidene)anthracen-2-yl]-6-methyl-heptanenitrile

Systemtic Name: 6-[9,10-bis(oxidanylidene)anthracen-2-yl]-6-methyl-heptanenitrile Openeye Name: 6-(9,10-dioxo-2-anthryl)-6-methyl-heptanenitrile CAS Name: 6-(9,10-dioxo-2-anthracenyl)-6-methylheptanenitrile IUPAC Name: 6-(9,10-dioxoanthracen-2-yl)-6-methylheptanenitrile Traditional Name: 6-(9,10-diketo-2-anthryl)-6-methyl-enanthonitrile Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC#N)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(CCCCC#N)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO2/c1-22(2,12-6-3-7-13-23)15-10-11-18-19(14-15)21(25)17-9-5-4-8-16(17)20(18)24/h4-5,8-11,14H,3,6-7,12H2,1-2H3