(6-phenylmethoxy-3,4-disulfooxy-oxan-2-yl)methyl hydrogen sulfate

Systemtic Name: (6-phenylmethoxy-3,4-disulfooxy-oxan-2-yl)methyl hydrogen sulfate Openeye Name: (6-benzyloxy-3,4-disulfooxy-tetrahydropyran-2-yl)methyl hydrogen sulfate CAS Name: sulfuric acid (6-phenylmethoxy-3,4-disulfooxy-2-oxanyl)methyl ester IUPAC Name: (6-phenylmethoxy-3,4-disulfooxyoxan-2-yl)methyl hydrogen sulfate Traditional Name: sulfuric acid (6-benzoxy-3,4-disulfoxy-tetrahydropyran-2-yl)methyl ester Formula: C13H18O14S3 MolecularWeight: 494.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O14S3/c14-28(15,16)24-8-11-13(27-30(20,21)22)10(26-29(17,18)19)6-12(25-11)23-7-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,14,15,16)(H,17,18,19)(H,20,21,22)