(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-methylpropane-1-sulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-methylpropane-1-sulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 2-methylpropane-1-sulfonate CAS Name: 2-methyl-1-propanesulfonic acid IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 2-methylpropane-1-sulfonate Traditional Name: 2-methylpropane-1-sulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C15H18O5S MolecularWeight: 310.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-9(2)8-21(17,18)20-12-5-6-13-10(3)11(4)15(16)19-14(13)7-12/h5-7,9H,8H2,1-4H3