(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) propane-2-sulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) propane-2-sulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C(C)C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C(C)C)C

InChI

InChI=1S/C14H16O5S/c1-8(2)20(16,17)19-11-5-6-12-9(3)10(4)14(15)18-13(12)7-11/h5-8H,1-4H3