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

Systemtic Name: 7-[3-(2-phenoxyethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(2-phenoxyethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[(2-phenoxyethylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(2-phenoxyethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[(2-phenoxyethylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCCCCC(=O)O)CSCCOC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)CCCCCCC(=O)O)CSCCOC3=CC=CC=C3

InChI

InChI=1S/C22H32O4S/c23-22(24)11-7-2-1-6-10-18-19(21-13-12-20(18)26-21)16-27-15-14-25-17-8-4-3-5-9-17/h3-5,8-9,18-21H,1-2,6-7,10-16H2,(H,23,24)