(2-oxidanylidenechromen-4-yl) 3-cyanobenzenesulfonate

Systemtic Name: (2-oxidanylidenechromen-4-yl) 3-cyanobenzenesulfonate Openeye Name: (2-oxochromen-4-yl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (2-oxochromen-4-yl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (2-ketochromen-4-yl) ester Formula: C16H9NO5S MolecularWeight: 327.31136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)O2)OS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)O2)OS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H9NO5S/c17-10-11-4-3-5-12(8-11)23(19,20)22-15-9-16(18)21-14-7-2-1-6-13(14)15/h1-9H