5-nitro-2-prop-2-ynyl-1$l^{4},3,2-benzodithiazole 1-oxide

Systemtic Name: 5-nitro-2-prop-2-ynyl-1$l^{4},3,2-benzodithiazole 1-oxide Openeye Name: 5-nitro-2-prop-2-ynyl-1$l^{4},3,2-benzodithiazole 1-oxide CAS Name: 5-nitro-2-prop-2-ynyl-1$l^{4},3,2-benzodithiazole 1-oxide IUPAC Name: 5-nitro-2-prop-2-ynyl-1$l^{4},3,2-benzodithiazole 1-oxide Traditional Name: 5-nitro-2-propargyl-1$l^{4},3,2-benzodithiazole 1-oxide Formula: C9H6N2O3S2 MolecularWeight: 254.28554

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1SC2=C(S1=O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCN1SC2=C(S1=O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O3S2/c1-2-5-10-15-8-6-7(11(12)13)3-4-9(8)16(10)14/h1,3-4,6H,5H2