methyl (1S,3aR,7R,7aS)-3a,7-dimethyl-1-oxidanyl-6-oxidanylidene-4,5,7,7a-tetrahydro-3H-2-benzofuran-1-carboxylate

Systemtic Name: methyl (1S,3aR,7R,7aS)-3a,7-dimethyl-1-oxidanyl-6-oxidanylidene-4,5,7,7a-tetrahydro-3H-2-benzofuran-1-carboxylate Openeye Name: methyl (1S,3aR,7R,7aS)-1-hydroxy-3a,7-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3H-isobenzofuran-1-carboxylate CAS Name: (1S,3aR,7R,7aS)-1-hydroxy-3a,7-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3H-isobenzofuran-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,3aR,7R,7aS)-1-hydroxy-3a,7-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3H-2-benzofuran-1-carboxylate Traditional Name: (1S,3aR,7R,7aS)-1-hydroxy-6-keto-3a,7-dimethyl-4,5,7,7a-tetrahydro-3H-isobenzofuran-1-carboxylic acid methyl ester Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCC1=O)(COC2(C(=O)OC)O)C

Isomeric SMILES

C[C@@H]1[C@H]2[C@@](CCC1=O)(CO[C@@]2(C(=O)OC)O)C

InChI

InChI=1S/C12H18O5/c1-7-8(13)4-5-11(2)6-17-12(15,9(7)11)10(14)16-3/h7,9,15H,4-6H2,1-3H3/t7-,9-,11-,12-/m0/s1