(E)-1-diazonio-4-(2-methyl-1,3-dithiolan-2-yl)but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-(2-methyl-1,3-dithiolan-2-yl)but-1-en-2-olate Openeye Name: (E)-1-diazonio-4-(2-methyl-1,3-dithiolan-2-yl)but-1-en-2-olate CAS Name: (E)-1-diazonio-4-(2-methyl-1,3-dithiolan-2-yl)-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-(2-methyl-1,3-dithiolan-2-yl)but-1-en-2-olate Traditional Name: (E)-1-diazonio-4-(2-methyl-1,3-dithiolan-2-yl)but-1-en-2-olate Formula: C8H12N2OS2 MolecularWeight: 216.32368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SCCS1)CCC(=C[N+]#N)[O-]

Isomeric SMILES

CC1(SCCS1)CC/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C8H12N2OS2/c1-8(12-4-5-13-8)3-2-7(11)6-10-9/h6H,2-5H2,1H3/b7-6+