(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-cyanobenzenesulfonate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-cyanobenzenesulfonate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15NO5S/c1-3-14-9-16-12(2)7-19(21)24-18(16)10-17(14)25-26(22,23)15-6-4-5-13(8-15)11-20/h4-10H,3H2,1-2H3