5-[6-(5-cyano-2-methyl-pentan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanenitrile

Systemtic Name: 5-[6-(5-cyano-2-methyl-pentan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanenitrile Openeye Name: 5-[6-(4-cyano-1,1-dimethyl-butyl)-9,10-dioxo-2-anthryl]-5-methyl-hexanenitrile CAS Name: 5-[6-(5-cyano-2-methylpentan-2-yl)-9,10-dioxo-2-anthracenyl]-5-methylhexanenitrile IUPAC Name: 5-[6-(5-cyano-2-methylpentan-2-yl)-9,10-dioxoanthracen-2-yl]-5-methylhexanenitrile Traditional Name: 5-[6-(4-cyano-1,1-dimethyl-butyl)-9,10-diketo-2-anthryl]-5-methyl-hexanenitrile Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O2/c1-27(2,13-5-7-15-29)19-9-11-21-23(17-19)25(31)22-12-10-20(18-24(22)26(21)32)28(3,4)14-6-8-16-30/h9-12,17-18H,5-8,13-14H2,1-4H3