S-phenyl (E)-6-oxidanyl-3-phenylsulfanyl-hex-2-enethioate

Systemtic Name: S-phenyl (E)-6-oxidanyl-3-phenylsulfanyl-hex-2-enethioate Openeye Name: S-phenyl (E)-6-hydroxy-3-phenylsulfanyl-hex-2-enethioate CAS Name: (E)-6-hydroxy-3-(phenylthio)-2-hexenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-6-hydroxy-3-phenylsulfanylhex-2-enethioate Traditional Name: (E)-6-hydroxy-3-(phenylthio)hex-2-enethioic acid S-phenyl ester Formula: C18H18O2S2 MolecularWeight: 330.46432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=CC(=O)SC2=CC=CC=C2)CCCO

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C/C(=O)SC2=CC=CC=C2)/CCCO

InChI

InChI=1S/C18H18O2S2/c19-13-7-12-17(21-15-8-3-1-4-9-15)14-18(20)22-16-10-5-2-6-11-16/h1-6,8-11,14,19H,7,12-13H2/b17-14+