(E)-7-(3-phenethylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid

Systemtic Name: (E)-7-(3-phenethylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-phenethylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(phenethylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-phenethylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(phenethylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CC=CCCCC(=O)O)SCCC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)C/C=C/CCCC(=O)O)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H28O3S/c22-20(23)11-7-2-1-6-10-17-18-12-13-19(24-18)21(17)25-15-14-16-8-4-3-5-9-16/h1,3-6,8-9,17-19,21H,2,7,10-15H2,(H,22,23)/b6-1+