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

Systemtic Name: (E)-7-(3-phenylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-phenylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(phenylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-phenylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(phenylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC2C(C(C1O2)C/C=C/CCCC(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C19H24O3S/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/h1,3-6,8-9,15-17,19H,2,7,10-13H2,(H,20,21)/b6-1+