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

Systemtic Name: [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 4-methylbenzenesulfonate Openeye Name: [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] ester IUPAC Name: [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] ester Formula: C22H32O7S3 MolecularWeight: 504.68028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2COC(O2)(C)C)C3C(OC(O3)(C)C)C4SCCCS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]([C@H]2COC(O2)(C)C)[C@H]3[C@@H](OC(O3)(C)C)C4SCCCS4

InChI

InChI=1S/C22H32O7S3/c1-14-7-9-15(10-8-14)32(23,24)29-17(16-13-25-21(2,3)26-16)18-19(28-22(4,5)27-18)20-30-11-6-12-31-20/h7-10,16-20H,6,11-13H2,1-5H3/t16-,17-,18+,19-/m1/s1