7-[3-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCCCCC(=O)O)CCOC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)CCCCCCC(=O)O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H30O4/c22-21(23)11-7-2-1-6-10-17-18(20-13-12-19(17)25-20)14-15-24-16-8-4-3-5-9-16/h3-5,8-9,17-20H,1-2,6-7,10-15H2,(H,22,23)