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

Systemtic Name: methyl (1R,3aR,4S,5R,7aS)-1-methyl-3-oxidanylidene-5-prop-2-enoxycarbonyloxy-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: methyl (1R,3aR,4S,5R,7aS)-5-allyloxycarbonyloxy-1-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (1R,3aR,4S,5R,7aS)-1-methyl-3-oxo-5-[oxo(prop-2-enoxy)methoxy]-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3aR,4S,5R,7aS)-1-methyl-3-oxo-5-prop-2-enoxycarbonyloxy-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (1R,3aR,4S,5R,7aS)-5-allyloxycarbonyloxy-3-keto-1-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Formula: C15H18O7 MolecularWeight: 310.29922

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C=CC(C(C2C(=O)O1)C(=O)OC)OC(=O)OCC=C

Isomeric SMILES

C[C@@H]1[C@H]2C=C[C@H]([C@H]([C@@H]2C(=O)O1)C(=O)OC)OC(=O)OCC=C

InChI

InChI=1S/C15H18O7/c1-4-7-20-15(18)22-10-6-5-9-8(2)21-14(17)11(9)12(10)13(16)19-3/h4-6,8-12H,1,7H2,2-3H3/t8-,9-,10-,11-,12-/m1/s1