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

Systemtic Name: 6-[6-(6-cyano-2-methyl-hexan-2-yl)-9,10-bis(oxidanylidene)anthracen-2-yl]-6-methyl-heptanenitrile Openeye Name: 6-[6-(5-cyano-1,1-dimethyl-pentyl)-9,10-dioxo-2-anthryl]-6-methyl-heptanenitrile CAS Name: 6-[6-(6-cyano-2-methylhexan-2-yl)-9,10-dioxo-2-anthracenyl]-6-methylheptanenitrile IUPAC Name: 6-[6-(6-cyano-2-methylhexan-2-yl)-9,10-dioxoanthracen-2-yl]-6-methylheptanenitrile Traditional Name: 6-[6-(5-cyano-1,1-dimethyl-pentyl)-9,10-diketo-2-anthryl]-6-methyl-enanthonitrile Formula: C30H34N2O2 MolecularWeight: 454.60316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O2/c1-29(2,15-7-5-9-17-31)21-11-13-23-25(19-21)27(33)24-14-12-22(20-26(24)28(23)34)30(3,4)16-8-6-10-18-32/h11-14,19-20H,5-10,15-16H2,1-4H3