3,3-diisothiocyanatobicyclo[3.2.2]nona-1(7),5,8-triene

Systemtic Name: 3,3-diisothiocyanatobicyclo[3.2.2]nona-1(7),5,8-triene Openeye Name: 3,3-diisothiocyanatobicyclo[3.2.2]nona-1(7),5,8-triene CAS Name: 3,3-diisothiocyanatobicyclo[3.2.2]nona-1(7),5,8-triene IUPAC Name: 3,3-diisothiocyanatobicyclo[3.2.2]nona-1(7),5,8-triene Traditional Name: 3,3-diisothiocyanatobicyclo[3.2.2]nona-1(7),5,8-triene Formula: C11H8N2S2 MolecularWeight: 232.32462

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=C(CC1(N=C=S)N=C=S)C=C2

Isomeric SMILES

C1C2=CC=C(CC1(N=C=S)N=C=S)C=C2

InChI

InChI=1S/C11H8N2S2/c14-7-12-11(13-8-15)5-9-1-2-10(6-11)4-3-9/h1-4H,5-6H2