tert-butyl (4aS,8S,8aS)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate

Systemtic Name: tert-butyl (4aS,8S,8aS)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Openeye Name: tert-butyl (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate CAS Name: (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Traditional Name: (4aS,8S,8aS)-1-keto-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylic acid tert-butyl ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC=CC2C1C(=O)OCC2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CC=C[C@H]2[C@@H]1C(=O)OCC2

InChI

InChI=1S/C14H20O4/c1-14(2,3)18-12(15)10-6-4-5-9-7-8-17-13(16)11(9)10/h4-5,9-11H,6-8H2,1-3H3/t9-,10+,11+/m1/s1