1-(3,3-dimethylbut-1-ynylsulfonyl)-3-nitro-benzene

Systemtic Name: 1-(3,3-dimethylbut-1-ynylsulfonyl)-3-nitro-benzene Openeye Name: 1-(3,3-dimethylbut-1-ynylsulfonyl)-3-nitro-benzene CAS Name: 1-(3,3-dimethylbut-1-ynylsulfonyl)-3-nitrobenzene IUPAC Name: 1-(3,3-dimethylbut-1-ynylsulfonyl)-3-nitrobenzene Traditional Name: 1-(3,3-dimethylbut-1-ynylsulfonyl)-3-nitro-benzene Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C#CS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4S/c1-12(2,3)7-8-18(16,17)11-6-4-5-10(9-11)13(14)15/h4-6,9H,1-3H3