methyl (3aR,4R,7aR)-3-oxidanylidene-3a,4,7,7a-tetrahydro-1H-2-benzofuran-4-carboxylate

Systemtic Name: methyl (3aR,4R,7aR)-3-oxidanylidene-3a,4,7,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: methyl (3aR,4R,7aR)-3-oxo-3a,4,7,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (3aR,4R,7aR)-3-oxo-3a,4,7,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4R,7aR)-3-oxo-3a,4,7,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (3aR,4R,7aR)-3-keto-3a,4,7,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Formula: C10H12O4 MolecularWeight: 196.19988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CCC2C1C(=O)OC2

Isomeric SMILES

COC(=O)[C@@H]1C=CC[C@@H]2[C@H]1C(=O)OC2

InChI

InChI=1S/C10H12O4/c1-13-9(11)7-4-2-3-6-5-14-10(12)8(6)7/h2,4,6-8H,3,5H2,1H3/t6-,7+,8+/m0/s1