This chemical is called Benzene, 1-[(1-isocyanopropyl)sulfonyl]-4-methyl-, and its systematic name is 1-[(1-isocyanopropyl)sulfonyl]-4-methylbenzene. With the molecular formula of C11H13NO2S, its molecular weight is 223.29. The CAS registry number of this chemical is 58379-81-0.
Other characteristics of the Benzene, 1-[(1-isocyanopropyl)sulfonyl]-4-methyl- can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 46.88 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccc(C)cc1)C([N+]#[C-])CC
2.InChI: InChI=1/C11H13NO2S/c1-4-11(12-3)15(13,14)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-2H3
3.InChIKey: HLITUPWOVBUZQH-UHFFFAOYAF
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