cyanomethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: cyanomethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: cyanomethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid cyanomethyl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC#N

InChI

InChI=1S/C13H13NO6S/c14-4-5-20-13(15)3-8-21(16,17)10-1-2-11-12(9-10)19-7-6-18-11/h1-2,9H,3,5-8H2