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

Systemtic Name: 7-(3-phenylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)heptanoic acid Openeye Name: 7-(3-phenylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)heptanoic acid CAS Name: 7-[3-(phenylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-(3-phenylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)heptanoic acid Traditional Name: 7-[3-(phenylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C19H26O3S MolecularWeight: 334.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCCCCC(=O)O)SC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)CCCCCCC(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C19H26O3S/c20-18(21)11-7-2-1-6-10-15-16-12-13-17(22-16)19(15)23-14-8-4-3-5-9-14/h3-5,8-9,15-17,19H,1-2,6-7,10-13H2,(H,20,21)