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methyl (4aS,8S,8aR)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate

methyl (4aS,8S,8aR)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate

Systemtic Name:methyl (4aS,8S,8aR)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate
Openeye Name:methyl (4aS,8S,8aR)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate
CAS Name:(4aS,8S,8aR)-1-oxo-3,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid methyl ester
IUPAC Name:methyl (4aS,8S,8aR)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate
Traditional Name:(4aS,8S,8aR)-1-keto-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylic acid methyl ester
Formula: C11H14O4
MolecularWeight: 210.22646
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CC2C1C(=O)OCC2


Isomeric SMILES

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


InChI

InChI=1S/C11H14O4/c1-14-10(12)8-4-2-3-7-5-6-15-11(13)9(7)8/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m1/s1


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