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

Systemtic Name: (3-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (3-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (3-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(=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)OC3=CC=CC(=C3)C#N

InChI

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