[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-[(4-methylphenyl)methoxy]-3-sulfooxy-oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-[(4-methylphenyl)methoxy]-3-sulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-(p-tolylmethoxy)-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-[(4-methylphenyl)methoxy]-3-sulfooxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-[(4-methylphenyl)methoxy]-3-sulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-(4-methylbenzyl)oxy-3-sulfoxy-tetrahydropyran-4-yl] ester Formula: C15H22O11S2 MolecularWeight: 442.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OCC2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C15H22O11S2/c1-9-4-6-11(7-5-9)8-23-12-10(2)24-15(22-3)14(26-28(19,20)21)13(12)25-27(16,17)18/h4-7,10,12-15H,8H2,1-3H3,(H,16,17,18)(H,19,20,21)/t10-,12-,13+,14+,15+/m0/s1