(2S,3aR,7aS)-2-ethenyl-3a-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1-benzofuran-7a-ol

Systemtic Name: (2S,3aR,7aS)-2-ethenyl-3a-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1-benzofuran-7a-ol Openeye Name: (2S,3aR,7aS)-3a-phenylsulfanyl-2-vinyl-2,3,4,5,6,7-hexahydrobenzofuran-7a-ol CAS Name: (2S,3aR,7aS)-2-ethenyl-3a-(phenylthio)-2,3,4,5,6,7-hexahydrobenzofuran-7a-ol IUPAC Name: (2S,3aR,7aS)-2-ethenyl-3a-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1-benzofuran-7a-ol Traditional Name: (2S,3aR,7aS)-3a-(phenylthio)-2-vinyl-2,3,4,5,6,7-hexahydrobenzofuran-7a-ol Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CC2(CCCCC2(O1)O)SC3=CC=CC=C3

Isomeric SMILES

C=C[C@@H]1C[C@@]2(CCCC[C@@]2(O1)O)SC3=CC=CC=C3

InChI

InChI=1S/C16H20O2S/c1-2-13-12-15(19-14-8-4-3-5-9-14)10-6-7-11-16(15,17)18-13/h2-5,8-9,13,17H,1,6-7,10-12H2/t13-,15-,16+/m1/s1