(2S,3R)-3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-diazonio-2-(3-methoxy-4-methylsulfonyloxy-phenyl)-2,3-dihydrofuran-5-olate

Systemtic Name: (2S,3R)-3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-diazonio-2-(3-methoxy-4-methylsulfonyloxy-phenyl)-2,3-dihydrofuran-5-olate Openeye Name: (2S,3R)-3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-diazonio-2-(3-methoxy-4-methylsulfonyloxy-phenyl)-2,3-dihydrofuran-5-olate CAS Name: (2S,3R)-3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-diazonio-2-(3-methoxy-4-methylsulfonyloxyphenyl)-2,3-dihydrofuran-5-olate IUPAC Name: (2S,3R)-3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-diazonio-2-(3-methoxy-4-methylsulfonyloxyphenyl)-2,3-dihydrofuran-5-olate Traditional Name: (2S,3R)-4-diazonio-2-(3-methoxy-4-methylsulfonyloxy-phenyl)-3-(piperonyloxymethyl)-2,3-dihydrofuran-5-olate Formula: C21H20N2O9S MolecularWeight: 476.4565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C(O2)[O-])[N+]#N)COCC3=CC4=C(C=C3)OCO4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C(O2)[O-])[N+]#N)COCC3=CC4=C(C=C3)OCO4)OS(=O)(=O)C

InChI

InChI=1S/C21H20N2O9S/c1-27-17-8-13(4-6-16(17)32-33(2,25)26)20-14(19(23-22)21(24)31-20)10-28-9-12-3-5-15-18(7-12)30-11-29-15/h3-8,14,20H,9-11H2,1-2H3/t14-,20+/m0/s1