ethyl [(1S,4R,5S)-4-phenylsulfanyl-8-bicyclo[3.2.1]octanyl] sulfate

Systemtic Name: ethyl [(1S,4R,5S)-4-phenylsulfanyl-8-bicyclo[3.2.1]octanyl] sulfate Openeye Name: ethyl [(1S,4R,5S)-4-phenylsulfanyl-8-bicyclo[3.2.1]octanyl] sulfate CAS Name: sulfuric acid ethyl [(1S,4R,5S)-4-(phenylthio)-8-bicyclo[3.2.1]octanyl] ester IUPAC Name: ethyl [(1S,4R,5S)-4-phenylsulfanyl-8-bicyclo[3.2.1]octanyl] sulfate Traditional Name: sulfuric acid ethyl [(1S,4R,5S)-4-(phenylthio)-8-bicyclo[3.2.1]octanyl] ester Formula: C16H22O4S2 MolecularWeight: 342.47348

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)OC1C2CCC1C(CC2)SC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)OC1[C@H]2CC[C@@H]1[C@@H](CC2)SC3=CC=CC=C3

InChI

InChI=1S/C16H22O4S2/c1-2-19-22(17,18)20-16-12-8-10-14(16)15(11-9-12)21-13-6-4-3-5-7-13/h3-7,12,14-16H,2,8-11H2,1H3/t12-,14+,15+,16?/m0/s1