7-[3-(hept-6-ynylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(hept-6-ynylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(hept-6-ynylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[(hept-6-ynylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(hept-6-ynylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[(hept-6-ynylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H34O3S MolecularWeight: 366.55786

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCCSCC1C2CCC(C1CCCCCCC(=O)O)O2

Isomeric SMILES

C#CCCCCCSCC1C2CCC(C1CCCCCCC(=O)O)O2

InChI

InChI=1S/C21H34O3S/c1-2-3-4-7-10-15-25-16-18-17(19-13-14-20(18)24-19)11-8-5-6-9-12-21(22)23/h1,17-20H,3-16H2,(H,22,23)