(2-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (2-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (2-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-cyanophenyl) ester Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3C#N

InChI

InChI=1S/C15H11NO5S/c16-10-11-3-1-2-4-13(11)21-22(17,18)12-5-6-14-15(9-12)20-8-7-19-14/h1-6,9H,7-8H2