3-[2-(4-heptylcyclohexyl)ethyl]-6-iodanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-[2-(4-heptylcyclohexyl)ethyl]-6-iodanyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[2-(4-heptylcyclohexyl)ethyl]-6-iodo-phthalonitrile CAS Name: 3-[2-(4-heptylcyclohexyl)ethyl]-6-iodobenzene-1,2-dicarbonitrile IUPAC Name: 3-[2-(4-heptylcyclohexyl)ethyl]-6-iodobenzene-1,2-dicarbonitrile Traditional Name: 3-[2-(4-heptylcyclohexyl)ethyl]-6-iodo-phthalonitrile Formula: C23H31IN2 MolecularWeight: 462.41011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)I)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)I)C#N)C#N

InChI

InChI=1S/C23H31IN2/c1-2-3-4-5-6-7-18-8-10-19(11-9-18)12-13-20-14-15-23(24)22(17-26)21(20)16-25/h14-15,18-19H,2-13H2,1H3