1-(5,5-dimethyl-1-nitro-hex-3-yn-2-yl)sulfonyl-4-methyl-benzene

Systemtic Name: 1-(5,5-dimethyl-1-nitro-hex-3-yn-2-yl)sulfonyl-4-methyl-benzene Openeye Name: 1-[4,4-dimethyl-1-(nitromethyl)pent-2-ynyl]sulfonyl-4-methyl-benzene CAS Name: 1-(5,5-dimethyl-1-nitrohex-3-yn-2-yl)sulfonyl-4-methylbenzene IUPAC Name: 1-(5,5-dimethyl-1-nitrohex-3-yn-2-yl)sulfonyl-4-methylbenzene Traditional Name: 1-[4,4-dimethyl-1-(nitromethyl)pent-2-ynyl]sulfonyl-4-methyl-benzene Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C[N+](=O)[O-])C#CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C[N+](=O)[O-])C#CC(C)(C)C

InChI

InChI=1S/C15H19NO4S/c1-12-5-7-13(8-6-12)21(19,20)14(11-16(17)18)9-10-15(2,3)4/h5-8,14H,11H2,1-4H3