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

Systemtic Name: methyl (3aS,5S,7aS)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-carboxylate Openeye Name: methyl (3aS,5S,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-carboxylate CAS Name: (3aS,5S,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl (3aS,5S,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-carboxylate Traditional Name: (3aS,5S,7aS)-3-keto-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-carboxylic acid methyl ester Formula: C10H12O4 MolecularWeight: 196.19988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2C(COC2=O)C=C1

Isomeric SMILES

COC(=O)[C@H]1C[C@H]2[C@@H](COC2=O)C=C1

InChI

InChI=1S/C10H12O4/c1-13-9(11)6-2-3-7-5-14-10(12)8(7)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7-,8+/m1/s1