[(3aR,7aR)-6-oxidanylidene-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] 3-chloranylbenzoate

Systemtic Name: [(3aR,7aR)-6-oxidanylidene-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] 3-chloranylbenzoate Openeye Name: [(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydrobenzofuran-3a-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydrobenzofuran-3a-yl] ester IUPAC Name: [(3aR,7aR)-6-oxo-2,3,7,7a-tetrahydro-1-benzofuran-3a-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(3aR,7aR)-6-keto-2,3,7,7a-tetrahydrobenzofuran-3a-yl] ester Formula: C15H13ClO4 MolecularWeight: 292.71432

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2C1(C=CC(=O)C2)OC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CO[C@H]2[C@@]1(C=CC(=O)C2)OC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H13ClO4/c16-11-3-1-2-10(8-11)14(18)20-15-5-4-12(17)9-13(15)19-7-6-15/h1-5,8,13H,6-7,9H2/t13-,15+/m1/s1