[2-(1-hydroxyethyl)-4-sulfooxy-phenyl] hydrogen sulfate

Systemtic Name: [2-(1-hydroxyethyl)-4-sulfooxy-phenyl] hydrogen sulfate Openeye Name: [2-(1-hydroxyethyl)-4-sulfooxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-(1-hydroxyethyl)-4-sulfooxyphenyl] ester IUPAC Name: [2-(1-hydroxyethyl)-4-sulfooxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-(1-hydroxyethyl)-4-sulfoxy-phenyl] ester Formula: C8H10O9S2 MolecularWeight: 314.2896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)OS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C8H10O9S2/c1-5(9)7-4-6(16-18(10,11)12)2-3-8(7)17-19(13,14)15/h2-5,9H,1H3,(H,10,11,12)(H,13,14,15)