(2S,3R,4R)-4-diphenylphosphoryl-5-methyl-2-(3-phenylpropylsulfanyl)hexane-1,3-diol

Systemtic Name: (2S,3R,4R)-4-diphenylphosphoryl-5-methyl-2-(3-phenylpropylsulfanyl)hexane-1,3-diol Openeye Name: (2S,3R,4R)-4-diphenylphosphoryl-5-methyl-2-(3-phenylpropylsulfanyl)hexane-1,3-diol CAS Name: (2S,3R,4R)-4-diphenylphosphoryl-5-methyl-2-(3-phenylpropylthio)hexane-1,3-diol IUPAC Name: (2S,3R,4R)-4-diphenylphosphoryl-5-methyl-2-(3-phenylpropylsulfanyl)hexane-1,3-diol Traditional Name: (2S,3R,4R)-4-diphenylphosphoryl-5-methyl-2-(3-phenylpropylthio)hexane-1,3-diol Formula: C28H35O3PS MolecularWeight: 482.614461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(CO)SCCCC1=CC=CC=C1)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H]([C@H]([C@H](CO)SCCCC1=CC=CC=C1)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H35O3PS/c1-22(2)28(27(30)26(21-29)33-20-12-15-23-13-6-3-7-14-23)32(31,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-11,13-14,16-19,22,26-30H,12,15,20-21H2,1-2H3/t26-,27-,28+/m0/s1