(3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) propane-2-sulfonate

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) propane-2-sulfonate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (3-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C13H13ClO5S MolecularWeight: 316.75732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO5S/c1-7(2)20(16,17)19-9-4-5-10-8(3)12(14)13(15)18-11(10)6-9/h4-7H,1-3H3