[(2R)-2-[(2S)-3,4-dimethoxy-5-oxidanylidene-2H-furan-2-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[(2S)-3,4-dimethoxy-5-oxidanylidene-2H-furan-2-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[(2S)-3,4-dimethoxy-5-oxo-2H-furan-2-yl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[(2S)-3,4-dimethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] ester IUPAC Name: [(2R)-2-[(2S)-3,4-dimethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-2-[(2S)-5-keto-3,4-dimethoxy-2H-furan-2-yl]ethyl] ester Formula: C15H18O8S MolecularWeight: 358.36362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2C(=C(C(=O)O2)OC)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C15H18O8S/c1-9-4-6-10(7-5-9)24(18,19)22-8-11(16)12-13(20-2)14(21-3)15(17)23-12/h4-7,11-12,16H,8H2,1-3H3/t11-,12+/m1/s1