2-(4-methylphenyl)-1-phenylsulfanyl-1-(phenylsulfonyl)hex-5-en-2-ol

Systemtic Name: 2-(4-methylphenyl)-1-phenylsulfanyl-1-(phenylsulfonyl)hex-5-en-2-ol Openeye Name: 1-(benzenesulfonyl)-1-phenylsulfanyl-2-(p-tolyl)hex-5-en-2-ol CAS Name: 1-(benzenesulfonyl)-2-(4-methylphenyl)-1-(phenylthio)-5-hexen-2-ol IUPAC Name: 1-(benzenesulfonyl)-2-(4-methylphenyl)-1-phenylsulfanylhex-5-en-2-ol Traditional Name: 1-besyl-1-(phenylthio)-2-(p-tolyl)hex-5-en-2-ol Formula: C25H26O3S2 MolecularWeight: 438.60214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC=C)(C(SC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CCC=C)(C(SC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C25H26O3S2/c1-3-4-19-25(26,21-17-15-20(2)16-18-21)24(29-22-11-7-5-8-12-22)30(27,28)23-13-9-6-10-14-23/h3,5-18,24,26H,1,4,19H2,2H3