[(1R)-1-[(4S,5R)-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxy-ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(triphenylmethyl)oxy-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-[(4S,5R)-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxy-ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(triphenylmethyl)oxy-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(4S,5R)-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxy-ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-[(4S,5R)-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(triphenylmethyl)oxyethyl] ester IUPAC Name: [(1R)-1-[(4S,5R)-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(4S,5R)-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxy-ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxy-ethyl] ester Formula: C40H46O7S3 MolecularWeight: 734.98404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5C(OC(O5)(C)C)C(CC6SCCCS6)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[C@@H]5[C@H](OC(O5)(C)C)[C@@H](CC6SCCCS6)OC

InChI

InChI=1S/C40H46O7S3/c1-29-21-23-33(24-22-29)50(41,42)47-35(38-37(45-39(2,3)46-38)34(43-4)27-36-48-25-14-26-49-36)28-44-40(30-15-8-5-9-16-30,31-17-10-6-11-18-31)32-19-12-7-13-20-32/h5-13,15-24,34-38H,14,25-28H2,1-4H3/t34-,35-,37-,38-/m1/s1