ethyl (4R,5S)-5-acetyloxy-3-(4-methylphenyl)sulfonyl-4-oxidanyl-6-phenyl-hexanoate

Systemtic Name: ethyl (4R,5S)-5-acetyloxy-3-(4-methylphenyl)sulfonyl-4-oxidanyl-6-phenyl-hexanoate Openeye Name: ethyl (4R,5S)-5-acetoxy-4-hydroxy-6-phenyl-3-(p-tolylsulfonyl)hexanoate CAS Name: (4R,5S)-5-acetyloxy-4-hydroxy-3-(4-methylphenyl)sulfonyl-6-phenylhexanoic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-acetyloxy-4-hydroxy-3-(4-methylphenyl)sulfonyl-6-phenylhexanoate Traditional Name: (4R,5S)-5-acetoxy-4-hydroxy-6-phenyl-3-tosyl-hexanoic acid ethyl ester Formula: C23H28O7S MolecularWeight: 448.52922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C(CC1=CC=CC=C1)OC(=O)C)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28O7S/c1-4-29-22(25)15-21(31(27,28)19-12-10-16(2)11-13-19)23(26)20(30-17(3)24)14-18-8-6-5-7-9-18/h5-13,20-21,23,26H,4,14-15H2,1-3H3/t20-,21?,23+/m0/s1