[(3aS,5S,7aS)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-yl] benzoate

Systemtic Name: [(3aS,5S,7aS)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-yl] benzoate Openeye Name: [(3aS,5S,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-yl] benzoate CAS Name: benzoic acid [(3aS,5S,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-yl] ester IUPAC Name: [(3aS,5S,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-yl] benzoate Traditional Name: benzoic acid [(3aS,5S,7aS)-3-keto-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-yl] ester Formula: C15H14O4 MolecularWeight: 258.26926

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC2C1C(=O)OC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H](C=C[C@H]2[C@H]1C(=O)OC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14O4/c16-14(10-4-2-1-3-5-10)19-12-7-6-11-9-18-15(17)13(11)8-12/h1-7,11-13H,8-9H2/t11-,12-,13+/m1/s1