3,4-dimethyl-7-oxidanyl-chromen-2-one; methanesulfonate

Systemtic Name: 3,4-dimethyl-7-oxidanyl-chromen-2-one; methanesulfonate Openeye Name: 7-hydroxy-3,4-dimethyl-chromen-2-one; methanesulfonate CAS Name: 7-hydroxy-3,4-dimethyl-1-benzopyran-2-one; methanesulfonate IUPAC Name: 7-hydroxy-3,4-dimethylchromen-2-one; methanesulfonate Traditional Name: 7-hydroxy-3,4-dimethyl-coumarin mesylate Formula: C12H13O6S- MolecularWeight: 285.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C11H10O3.CH4O3S/c1-6-7(2)11(13)14-10-5-8(12)3-4-9(6)10;1-5(2,3)4/h3-5,12H,1-2H3;1H3,(H,2,3,4)/p-1