ethyl (3aS,7R,7aS)-2,2-dimethyl-7-methylsulfonyloxy-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: ethyl (3aS,7R,7aS)-2,2-dimethyl-7-methylsulfonyloxy-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: ethyl (3aS,7R,7aS)-2,2-dimethyl-7-methylsulfonyloxy-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aS,7R,7aS)-2,2-dimethyl-7-methylsulfonyloxy-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,7R,7aS)-2,2-dimethyl-7-methylsulfonyloxy-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aS,7R,7aS)-2,2-dimethyl-7-methylsulfonyloxy-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester Formula: C13H20O7S MolecularWeight: 320.3587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C2C(C1)OC(O2)(C)C)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@@H]2[C@H](C1)OC(O2)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C13H20O7S/c1-5-17-12(14)8-6-9-11(19-13(2,3)18-9)10(7-8)20-21(4,15)16/h7,9-11H,5-6H2,1-4H3/t9-,10+,11-/m0/s1