(E)-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3,3-dimethyl-1-[4-(2-methyl-1-oxopropoxy)phenyl]sulfonyl-1-butene-1-diazonium IUPAC Name: (E)-2-hydroxy-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonylbut-1-ene-1-diazonium Traditional Name: (E)-2-hydroxy-1-(4-isobutyryloxyphenyl)sulfonyl-3,3-dimethyl-but-1-ene-1-diazonium Formula: C16H21N2O5S+ MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=C(C(C)(C)C)O)[N+]#N

Isomeric SMILES

CC(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C(C)(C)C)/O)/[N+]#N

InChI

InChI=1S/C16H20N2O5S/c1-10(2)15(20)23-11-6-8-12(9-7-11)24(21,22)14(18-17)13(19)16(3,4)5/h6-10H,1-5H3/p+1/b14-13+