2-methyl-3-oxidanyl-pyran-4-one; methylsulfonylbenzene

Systemtic Name: 2-methyl-3-oxidanyl-pyran-4-one; methylsulfonylbenzene Openeye Name: 3-hydroxy-2-methyl-pyran-4-one; methylsulfonylbenzene CAS Name: 3-hydroxy-2-methyl-4-pyranone; methylsulfonylbenzene IUPAC Name: 3-hydroxy-2-methylpyran-4-one; methylsulfonylbenzene Traditional Name: 3-hydroxy-2-methyl-pyran-4-one; mesylbenzene Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)O.CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC1=C(C(=O)C=CO1)O.CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C7H8O2S.C6H6O3/c1-10(8,9)7-5-3-2-4-6-7;1-4-6(8)5(7)2-3-9-4/h2-6H,1H3;2-3,8H,1H3