(phenylmethyl) (3aR,4R)-6-chloranyl-1-oxidanylidene-3a,4-dihydro-3H-benzo[f][2]benzofuran-4-carboxylate

Systemtic Name: (phenylmethyl) (3aR,4R)-6-chloranyl-1-oxidanylidene-3a,4-dihydro-3H-benzo[f][2]benzofuran-4-carboxylate Openeye Name: benzyl (3aR,4R)-6-chloro-1-oxo-3a,4-dihydro-3H-benzo[f]isobenzofuran-4-carboxylate CAS Name: (3aR,4R)-6-chloro-1-oxo-3a,4-dihydro-3H-benzo[f]isobenzofuran-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3aR,4R)-6-chloro-1-oxo-3a,4-dihydro-3H-benzo[f][2]benzofuran-4-carboxylate Traditional Name: (3aR,4R)-6-chloro-1-keto-3a,4-dihydro-3H-benz[f]isobenzofuran-4-carboxylic acid benzyl ester Formula: C20H15ClO4 MolecularWeight: 354.7837

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C3=C(C=CC(=C3)Cl)C=C2C(=O)O1)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2[C@H](C3=C(C=CC(=C3)Cl)C=C2C(=O)O1)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H15ClO4/c21-14-7-6-13-8-16-17(11-25-19(16)22)18(15(13)9-14)20(23)24-10-12-4-2-1-3-5-12/h1-9,17-18H,10-11H2/t17-,18-/m0/s1