(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 3-cyanobenzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 3-cyanobenzenesulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15NO5S/c1-12(2)17-10-19(21)24-18-9-14(6-7-16(17)18)25-26(22,23)15-5-3-4-13(8-15)11-20/h3-10,12H,1-2H3