methyl 2-oxidanylidene-7a-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-oxidanylidene-7a-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-3-carboxylate Openeye Name: methyl 2-oxo-7a-phenyl-3,3a,4,5,6,7-hexahydrobenzofuran-3-carboxylate CAS Name: 2-oxo-7a-phenyl-3,3a,4,5,6,7-hexahydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-oxo-7a-phenyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-3-carboxylate Traditional Name: 2-keto-7a-phenyl-3,3a,4,5,6,7-hexahydrobenzofuran-3-carboxylic acid methyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCCCC2(OC1=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C2CCCCC2(OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18O4/c1-19-14(17)13-12-9-5-6-10-16(12,20-15(13)18)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3