This chemical is called Benzene, 1-[(1-isocyanoethyl)sulfonyl]-4-methyl-, and its systematic name is 1-[(1-isocyanoethyl)sulfonyl]-4-methylbenzene. With the molecular formula of C10H11NO2S, its molecular weight is 209.26. The CAS registry number of this chemical is 58379-80-9.
Other characteristics of the Benzene, 1-[(1-isocyanoethyl)sulfonyl]-4-methyl- can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 46.88 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccc(cc1)C)C([N+]#[C-])C
2.InChI: InChI=1/C10H11NO2S/c1-8-4-6-10(7-5-8)14(12,13)9(2)11-3/h4-7,9H,1-2H3
3.InChIKey: NGOUPILQFWOEET-UHFFFAOYAG
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