[(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dithian-2-yl)-3-(hydroxymethyl)-1-methyl-cyclohexyl]methyl benzoate

Systemtic Name: [(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dithian-2-yl)-3-(hydroxymethyl)-1-methyl-cyclohexyl]methyl benzoate Openeye Name: [(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dithian-2-yl)-3-(hydroxymethyl)-1-methyl-cyclohexyl]methyl benzoate CAS Name: benzoic acid [(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dithian-2-yl)-3-(hydroxymethyl)-1-methylcyclohexyl]methyl ester IUPAC Name: [(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dithian-2-yl)-3-(hydroxymethyl)-1-methylcyclohexyl]methyl benzoate Traditional Name: benzoic acid [(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dithian-2-yl)-1-methyl-3-methylol-cyclohexyl]methyl ester Formula: C26H42O4S2Si MolecularWeight: 510.82478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1C2SCCCS2)CO)O[Si](C)(C)C(C)(C)C)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@]1(CC[C@@H]([C@H]([C@H]1C2SCCCS2)CO)O[Si](C)(C)C(C)(C)C)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H42O4S2Si/c1-25(2,3)33(5,6)30-21-13-14-26(4,18-29-23(28)19-11-8-7-9-12-19)22(20(21)17-27)24-31-15-10-16-32-24/h7-9,11-12,20-22,24,27H,10,13-18H2,1-6H3/t20-,21+,22+,26+/m1/s1