[3-oxidanyl-6-phenylmethoxy-2-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Systemtic Name: [3-oxidanyl-6-phenylmethoxy-2-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Openeye Name: [6-benzyloxy-3-hydroxy-2-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [3-hydroxy-6-phenylmethoxy-2-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [3-hydroxy-6-phenylmethoxy-2-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [6-benzoxy-3-hydroxy-2-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C13H18O11S2 MolecularWeight: 414.40542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1OCC2=CC=CC=C2)COS(=O)(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1C(C(C(OC1OCC2=CC=CC=C2)COS(=O)(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C13H18O11S2/c14-13-10(24-26(18,19)20)6-12(21-7-9-4-2-1-3-5-9)23-11(13)8-22-25(15,16)17/h1-5,10-14H,6-8H2,(H,15,16,17)(H,18,19,20)