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

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

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

Canonical SMILES:

C1C2CC(=O)OC2C=CC1OC(=O)C3=CC=CC=C3


Isomeric SMILES

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


InChI

InChI=1S/C15H14O4/c16-14-9-11-8-12(6-7-13(11)19-14)18-15(17)10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/t11-,12+,13-/m0/s1


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