(4-oxidanylidene-3,3a,5,6,7,7a-hexahydro-2H-1-benzofuran-2-yl)methyl benzoate

Systemtic Name: (4-oxidanylidene-3,3a,5,6,7,7a-hexahydro-2H-1-benzofuran-2-yl)methyl benzoate Openeye Name: (4-oxo-3,3a,5,6,7,7a-hexahydro-2H-benzofuran-2-yl)methyl benzoate CAS Name: benzoic acid (4-oxo-3,3a,5,6,7,7a-hexahydro-2H-benzofuran-2-yl)methyl ester IUPAC Name: (4-oxo-3,3a,5,6,7,7a-hexahydro-2H-1-benzofuran-2-yl)methyl benzoate Traditional Name: benzoic acid (4-keto-3,3a,5,6,7,7a-hexahydro-2H-benzofuran-2-yl)methyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)C(=O)C1

Isomeric SMILES

C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)C(=O)C1

InChI

InChI=1S/C16H18O4/c17-14-7-4-8-15-13(14)9-12(20-15)10-19-16(18)11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2