(4-methanoylcyclohexyl)methyl propane-2-sulfonate

Systemtic Name: (4-methanoylcyclohexyl)methyl propane-2-sulfonate Openeye Name: (4-formylcyclohexyl)methyl propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (4-formylcyclohexyl)methyl propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (4-formylcyclohexyl)methyl ester Formula: C11H20O4S MolecularWeight: 248.3391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OCC1CCC(CC1)C=O

Isomeric SMILES

CC(C)S(=O)(=O)OCC1CCC(CC1)C=O

InChI

InChI=1S/C11H20O4S/c1-9(2)16(13,14)15-8-11-5-3-10(7-12)4-6-11/h7,9-11H,3-6,8H2,1-2H3