(1S,10aR)-1H-pyrene-1,10a-dicarbonitrile

Systemtic Name: (1S,10aR)-1H-pyrene-1,10a-dicarbonitrile Openeye Name: (1S,10aR)-1H-pyrene-1,10a-dicarbonitrile CAS Name: (1S,10aR)-1H-pyrene-1,10a-dicarbonitrile IUPAC Name: (1S,10aR)-1H-pyrene-1,10a-dicarbonitrile Traditional Name: (1S,10aR)-1H-pyrene-1,10a-dicarbonitrile Formula: C18H10N2 MolecularWeight: 254.2854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4(C3=C(C=CC4C#N)C=C2)C#N

Isomeric SMILES

C1=CC2=C3C(=C1)C=C[C@@]4(C3=C(C=C[C@@H]4C#N)C=C2)C#N

InChI

InChI=1S/C18H10N2/c19-10-15-7-6-14-5-4-12-2-1-3-13-8-9-18(15,11-20)17(14)16(12)13/h1-9,15H/t15-,18-/m1/s1