(4aS,10aR)-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1-dicarbonitrile

Systemtic Name: (4aS,10aR)-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1-dicarbonitrile Openeye Name: (4aS,10aR)-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1-dicarbonitrile CAS Name: (4aS,10aR)-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1-dicarbonitrile IUPAC Name: (4aS,10aR)-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1-dicarbonitrile Traditional Name: (4aS,10aR)-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1,1-dicarbonitrile Formula: C16H16N2 MolecularWeight: 236.31164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CCC3=CC=CC=C23)C(C1)(C#N)C#N

Isomeric SMILES

C1C[C@H]2[C@@H](CCC3=CC=CC=C23)C(C1)(C#N)C#N

InChI

InChI=1S/C16H16N2/c17-10-16(11-18)9-3-6-14-13-5-2-1-4-12(13)7-8-15(14)16/h1-2,4-5,14-15H,3,6-9H2/t14-,15-/m1/s1