2-[2-[[(1S,2R,3R,4R)-3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-[[(1S,2R,3R,4R)-3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[2-[[(1S,2R,3R,4R)-3-(acetoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetic acid CAS Name: 2-[2-[[(1S,2R,3R,4R)-3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[2-[[(1S,2R,3R,4R)-3-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetic acid Traditional Name: 2-[2-[[(1S,2R,3R,4R)-3-(acetoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetic acid Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C2CCC(C1CC3=CC=CC=C3CC(=O)O)O2

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]2CC[C@@H]([C@@H]1CC3=CC=CC=C3CC(=O)O)O2

InChI

InChI=1S/C18H22O5/c1-11(19)22-10-15-14(16-6-7-17(15)23-16)8-12-4-2-3-5-13(12)9-18(20)21/h2-5,14-17H,6-10H2,1H3,(H,20,21)/t14-,15+,16+,17-/m1/s1