2-tert-butyl-5,5-dimethyl-2-[5-(nitromethylsulfonyl)thiophen-2-yl]-1,3-dioxane

Systemtic Name: 2-tert-butyl-5,5-dimethyl-2-[5-(nitromethylsulfonyl)thiophen-2-yl]-1,3-dioxane Openeye Name: 2-tert-butyl-5,5-dimethyl-2-[5-(nitromethylsulfonyl)-2-thienyl]-1,3-dioxane CAS Name: 2-tert-butyl-5,5-dimethyl-2-[5-(nitromethylsulfonyl)-2-thiophenyl]-1,3-dioxane IUPAC Name: 2-tert-butyl-5,5-dimethyl-2-[5-(nitromethylsulfonyl)thiophen-2-yl]-1,3-dioxane Traditional Name: 2-tert-butyl-5,5-dimethyl-2-[5-(nitromethylsulfonyl)-2-thienyl]-1,3-dioxane Formula: C15H23NO6S2 MolecularWeight: 377.47622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(C2=CC=C(S2)S(=O)(=O)C[N+](=O)[O-])C(C)(C)C)C

Isomeric SMILES

CC1(COC(OC1)(C2=CC=C(S2)S(=O)(=O)C[N+](=O)[O-])C(C)(C)C)C

InChI

InChI=1S/C15H23NO6S2/c1-13(2,3)15(21-8-14(4,5)9-22-15)11-6-7-12(23-11)24(19,20)10-16(17)18/h6-7H,8-10H2,1-5H3