[(2R,3S,4S,6R)-6-(1,3-dithian-2-yl)-4-methyl-3-oxidanyl-heptan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S,4S,6R)-6-(1,3-dithian-2-yl)-4-methyl-3-oxidanyl-heptan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S,3S,5R)-5-(1,3-dithian-2-yl)-2-hydroxy-1,3-dimethyl-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4S,6R)-6-(1,3-dithian-2-yl)-3-hydroxy-4-methylheptan-2-yl] ester IUPAC Name: [(2R,3S,4S,6R)-6-(1,3-dithian-2-yl)-3-hydroxy-4-methylheptan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S,3S,5R)-5-(1,3-dithian-2-yl)-2-hydroxy-1,3-dimethyl-hexyl] ester Formula: C19H30O4S3 MolecularWeight: 418.6341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(C)CC(C)C2SCCCS2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C)[C@H]([C@@H](C)C[C@@H](C)C2SCCCS2)O

InChI

InChI=1S/C19H30O4S3/c1-13-6-8-17(9-7-13)26(21,22)23-16(4)18(20)14(2)12-15(3)19-24-10-5-11-25-19/h6-9,14-16,18-20H,5,10-12H2,1-4H3/t14-,15+,16+,18-/m0/s1