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

Systemtic Name: 7-[3-(3-oxidanylheptylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(3-hydroxyheptylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[(3-hydroxyheptylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(3-hydroxyheptylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[(3-hydroxyheptylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H38O4S MolecularWeight: 386.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCSCC1C2CCC(C1CCCCCCC(=O)O)O2)O

Isomeric SMILES

CCCCC(CCSCC1C2CCC(C1CCCCCCC(=O)O)O2)O

InChI

InChI=1S/C21H38O4S/c1-2-3-8-16(22)13-14-26-15-18-17(19-11-12-20(18)25-19)9-6-4-5-7-10-21(23)24/h16-20,22H,2-15H2,1H3,(H,23,24)