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

Systemtic Name: [(1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethyl] ester IUPAC Name: [(1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethyl] ester Formula: C23H34O7S3 MolecularWeight: 518.70686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2SCCCS2)C3C(OC(O3)(C)C)C4COC(O4)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](CC2SCCCS2)[C@@H]3[C@H](OC(O3)(C)C)[C@H]4COC(O4)(C)C

InChI

InChI=1S/C23H34O7S3/c1-15-7-9-16(10-8-15)33(24,25)30-17(13-19-31-11-6-12-32-19)20-21(29-23(4,5)28-20)18-14-26-22(2,3)27-18/h7-10,17-21H,6,11-14H2,1-5H3/t17-,18-,20-,21-/m1/s1