(5-oxidanyl-6-oxidanylidene-3-prop-2-enyl-7-oxabicyclo[3.2.1]octan-2-yl) benzoate

Systemtic Name: (5-oxidanyl-6-oxidanylidene-3-prop-2-enyl-7-oxabicyclo[3.2.1]octan-2-yl) benzoate Openeye Name: (3-allyl-5-hydroxy-6-oxo-7-oxabicyclo[3.2.1]octan-2-yl) benzoate CAS Name: benzoic acid (5-hydroxy-6-oxo-3-prop-2-enyl-7-oxabicyclo[3.2.1]octan-2-yl) ester IUPAC Name: (5-hydroxy-6-oxo-3-prop-2-enyl-7-oxabicyclo[3.2.1]octan-2-yl) benzoate Traditional Name: benzoic acid (3-allyl-5-hydroxy-6-keto-7-oxabicyclo[3.2.1]octan-2-yl) ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1CC2(CC(C1OC(=O)C3=CC=CC=C3)OC2=O)O

Isomeric SMILES

C=CCC1CC2(CC(C1OC(=O)C3=CC=CC=C3)OC2=O)O

InChI

InChI=1S/C17H18O5/c1-2-6-12-9-17(20)10-13(21-16(17)19)14(12)22-15(18)11-7-4-3-5-8-11/h2-5,7-8,12-14,20H,1,6,9-10H2