(5E)-7-phenyl-5-phenylsulfanyl-2,3,4,7-tetrahydrooxocin-8-one

Systemtic Name: (5E)-7-phenyl-5-phenylsulfanyl-2,3,4,7-tetrahydrooxocin-8-one Openeye Name: (5E)-7-phenyl-5-phenylsulfanyl-2,3,4,7-tetrahydrooxocin-8-one CAS Name: (5E)-7-phenyl-5-(phenylthio)-2,3,4,7-tetrahydrooxocin-8-one IUPAC Name: (5E)-7-phenyl-5-phenylsulfanyl-2,3,4,7-tetrahydrooxocin-8-one Traditional Name: (5E)-7-phenyl-5-(phenylthio)-2,3,4,7-tetrahydrooxocin-8-one Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(C(=O)OC1)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1C/C(=C\C(C(=O)OC1)C2=CC=CC=C2)/SC3=CC=CC=C3

InChI

InChI=1S/C19H18O2S/c20-19-18(15-8-3-1-4-9-15)14-17(12-7-13-21-19)22-16-10-5-2-6-11-16/h1-6,8-11,14,18H,7,12-13H2/b17-14+