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

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-ethanoylbenzenesulfonate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3-acetylbenzenesulfonate CAS Name: 3-acetylbenzenesulfonic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-acetylbenzenesulfonate Traditional Name: 3-acetylbenzenesulfonic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H18O6S MolecularWeight: 386.41832

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18O6S/c1-4-14-10-17-12(2)8-20(22)25-19(17)11-18(14)26-27(23,24)16-7-5-6-15(9-16)13(3)21/h5-11H,4H2,1-3H3