(1S,2S)-3-methylidene-2-(4-methylphenyl)sulfonyl-1-phenyl-butane-1,4-diol

Systemtic Name: (1S,2S)-3-methylidene-2-(4-methylphenyl)sulfonyl-1-phenyl-butane-1,4-diol Openeye Name: (1S,2S)-3-methylene-1-phenyl-2-(p-tolylsulfonyl)butane-1,4-diol CAS Name: (1S,2S)-3-methylene-2-(4-methylphenyl)sulfonyl-1-phenylbutane-1,4-diol IUPAC Name: (1S,2S)-3-methylidene-2-(4-methylphenyl)sulfonyl-1-phenylbutane-1,4-diol Traditional Name: (1S,2S)-3-methylene-1-phenyl-2-tosyl-butane-1,4-diol Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(C2=CC=CC=C2)O)C(=C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H]([C@H](C2=CC=CC=C2)O)C(=C)CO

InChI

InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)18(14(2)12-19)17(20)15-6-4-3-5-7-15/h3-11,17-20H,2,12H2,1H3/t17-,18-/m0/s1