[4-[[2-(hydroxymethyl)-4-oxidanyl-3-phenylmethoxy-thiolan-1-ium-1-yl]methyl]-2-phenyl-1,3-dioxan-5-yl] hydrogen sulfate

Systemtic Name: [4-[[2-(hydroxymethyl)-4-oxidanyl-3-phenylmethoxy-thiolan-1-ium-1-yl]methyl]-2-phenyl-1,3-dioxan-5-yl] hydrogen sulfate Openeye Name: [4-[[3-benzyloxy-4-hydroxy-2-(hydroxymethyl)tetrahydrothiophen-1-ium-1-yl]methyl]-2-phenyl-1,3-dioxan-5-yl] hydrogen sulfate CAS Name: sulfuric acid [4-[[4-hydroxy-2-(hydroxymethyl)-3-phenylmethoxy-1-thiolan-1-iumyl]methyl]-2-phenyl-1,3-dioxan-5-yl] ester IUPAC Name: [4-[[4-hydroxy-2-(hydroxymethyl)-3-phenylmethoxythiolan-1-ium-1-yl]methyl]-2-phenyl-1,3-dioxan-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(3-benzoxy-4-hydroxy-2-methylol-tetrahydrothiophen-1-ium-1-yl)methyl]-2-phenyl-1,3-dioxan-5-yl] ester Formula: C23H29O9S2+ MolecularWeight: 513.60096

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=CC=C2)C[S+]3CC(C(C3CO)OCC4=CC=CC=C4)O)OS(=O)(=O)O

Isomeric SMILES

C1C(C(OC(O1)C2=CC=CC=C2)C[S+]3CC(C(C3CO)OCC4=CC=CC=C4)O)OS(=O)(=O)O

InChI

InChI=1S/C23H28O9S2/c24-11-21-22(29-12-16-7-3-1-4-8-16)18(25)14-33(21)15-20-19(32-34(26,27)28)13-30-23(31-20)17-9-5-2-6-10-17/h1-10,18-25H,11-15H2/p+1