3,6-bis(6,6-dimethyl-5-oxidanylidene-heptyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-bis(6,6-dimethyl-5-oxidanylidene-heptyl)benzene-1,2-dicarbonitrile Openeye Name: 3,6-bis(6,6-dimethyl-5-oxo-heptyl)phthalonitrile CAS Name: 3,6-bis(6,6-dimethyl-5-oxoheptyl)benzene-1,2-dicarbonitrile IUPAC Name: 3,6-bis(6,6-dimethyl-5-oxoheptyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-bis(5-keto-6,6-dimethyl-heptyl)phthalonitrile Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCCCC1=C(C(=C(C=C1)CCCCC(=O)C(C)(C)C)C#N)C#N

Isomeric SMILES

CC(C)(C)C(=O)CCCCC1=C(C(=C(C=C1)CCCCC(=O)C(C)(C)C)C#N)C#N

InChI

InChI=1S/C26H36N2O2/c1-25(2,3)23(29)13-9-7-11-19-15-16-20(22(18-28)21(19)17-27)12-8-10-14-24(30)26(4,5)6/h15-16H,7-14H2,1-6H3