(2-ethoxysulfonyl-1-phenyl-ethyl) 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: (2-ethoxysulfonyl-1-phenyl-ethyl) 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: (2-ethoxysulfonyl-1-phenyl-ethyl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid (2-ethoxysulfonyl-1-phenylethyl) ester IUPAC Name: (2-ethoxysulfonyl-1-phenylethyl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid (2-ethoxysulfonyl-1-phenyl-ethyl) ester Formula: C20H26O7S MolecularWeight: 410.48124

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)CC(C1=CC=CC=C1)OC(=O)C23CCC(C2(C)C)(C(=O)O3)C

Isomeric SMILES

CCOS(=O)(=O)CC(C1=CC=CC=C1)OC(=O)C23CCC(C2(C)C)(C(=O)O3)C

InChI

InChI=1S/C20H26O7S/c1-5-25-28(23,24)13-15(14-9-7-6-8-10-14)26-17(22)20-12-11-19(4,16(21)27-20)18(20,2)3/h6-10,15H,5,11-13H2,1-4H3