1-(1,3-dithiepan-2-ylidene)-1-nitro-propan-2-one

Systemtic Name: 1-(1,3-dithiepan-2-ylidene)-1-nitro-propan-2-one Openeye Name: 1-(1,3-dithiepan-2-ylidene)-1-nitro-propan-2-one CAS Name: 1-(1,3-dithiepan-2-ylidene)-1-nitro-2-propanone IUPAC Name: 1-(1,3-dithiepan-2-ylidene)-1-nitropropan-2-one Traditional Name: 1-(1,3-dithiepan-2-ylidene)-1-nitro-acetone Formula: C8H11NO3S2 MolecularWeight: 233.30784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1SCCCCS1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(=C1SCCCCS1)[N+](=O)[O-]

InChI

InChI=1S/C8H11NO3S2/c1-6(10)7(9(11)12)8-13-4-2-3-5-14-8/h2-5H2,1H3