(E)-7-(3-heptylsulfanyl-2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid

Systemtic Name: (E)-7-(3-heptylsulfanyl-2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid Openeye Name: (E)-7-(3-heptylsulfanylnorbornan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(heptylthio)-2-bicyclo[2.2.1]heptanyl]-5-heptenoic acid IUPAC Name: (E)-7-(3-heptylsulfanyl-2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid Traditional Name: (E)-7-[3-(heptylthio)norbornan-2-yl]hept-5-enoic acid Formula: C21H36O2S MolecularWeight: 352.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1C2CCC(C2)C1CC=CCCCC(=O)O

Isomeric SMILES

CCCCCCCSC1C2CCC(C2)C1C/C=C/CCCC(=O)O

InChI

InChI=1S/C21H36O2S/c1-2-3-4-7-10-15-24-21-18-14-13-17(16-18)19(21)11-8-5-6-9-12-20(22)23/h5,8,17-19,21H,2-4,6-7,9-16H2,1H3,(H,22,23)/b8-5+