(E)-2-diazonio-1-[2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidin-3-yl]-2-phenylperoxysulfanyl-ethenolate

Systemtic Name: (E)-2-diazonio-1-[2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidin-3-yl]-2-phenylperoxysulfanyl-ethenolate Openeye Name: (E)-1-(4-benzyl-2,2-dimethyl-oxazolidin-3-yl)-2-diazonio-2-phenylperoxysulfanyl-ethenolate CAS Name: (E)-2-diazonio-1-[2,2-dimethyl-4-(phenylmethyl)-3-oxazolidinyl]-2-(phenyldioxythio)ethenolate IUPAC Name: (E)-1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-diazonio-2-phenylperoxysulfanylethenolate Traditional Name: (E)-1-(4-benzyl-2,2-dimethyl-oxazolidin-3-yl)-2-diazonio-2-(phenylperoxythio)ethenolate Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)CC2=CC=CC=C2)C(=C([N+]#N)SOOC3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1(N(C(CO1)CC2=CC=CC=C2)/C(=C(/[N+]#N)\SOOC3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C20H21N3O4S/c1-20(2)23(16(14-25-20)13-15-9-5-3-6-10-15)19(24)18(22-21)28-27-26-17-11-7-4-8-12-17/h3-12,16H,13-14H2,1-2H3/b19-18+