(1-methyl-5-oxidanyl-cyclohexa-2,4-dien-1-yl) methanesulfonate

Systemtic Name: (1-methyl-5-oxidanyl-cyclohexa-2,4-dien-1-yl) methanesulfonate Openeye Name: (5-hydroxy-1-methyl-cyclohexa-2,4-dien-1-yl) methanesulfonate CAS Name: methanesulfonic acid (5-hydroxy-1-methyl-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (5-hydroxy-1-methylcyclohexa-2,4-dien-1-yl) methanesulfonate Traditional Name: methanesulfonic acid (5-hydroxy-1-methyl-cyclohexa-2,4-dien-1-yl) ester Formula: C8H12O4S MolecularWeight: 204.24348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1)O)OS(=O)(=O)C

Isomeric SMILES

CC1(CC(=CC=C1)O)OS(=O)(=O)C

InChI

InChI=1S/C8H12O4S/c1-8(12-13(2,10)11)5-3-4-7(9)6-8/h3-5,9H,6H2,1-2H3