(E)-1-diazonio-3,3-dimethyl-1-(4-propanoyloxyphenyl)sulfonyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3,3-dimethyl-1-(4-propanoyloxyphenyl)sulfonyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-3,3-dimethyl-1-(4-propanoyloxyphenyl)sulfonyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-3,3-dimethyl-1-[4-(1-oxopropoxy)phenyl]sulfonyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-3,3-dimethyl-1-(4-propanoyloxyphenyl)sulfonylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-3,3-dimethyl-1-(4-propionyloxyphenyl)sulfonyl-but-1-en-2-olate Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S/c1-5-12(18)22-10-6-8-11(9-7-10)23(20,21)14(17-16)13(19)15(2,3)4/h6-9H,5H2,1-4H3/b14-13+