(2,3-diethyl-4-sulfooxy-phenyl) hydrogen sulfate

Systemtic Name: (2,3-diethyl-4-sulfooxy-phenyl) hydrogen sulfate Openeye Name: (2,3-diethyl-4-sulfooxy-phenyl) hydrogen sulfate CAS Name: sulfuric acid (2,3-diethyl-4-sulfooxyphenyl) ester IUPAC Name: (2,3-diethyl-4-sulfooxyphenyl) hydrogen sulfate Traditional Name: sulfuric acid (2,3-diethyl-4-sulfoxy-phenyl) ester Formula: C10H14O8S2 MolecularWeight: 326.34336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1CC)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C10H14O8S2/c1-3-7-8(4-2)10(18-20(14,15)16)6-5-9(7)17-19(11,12)13/h5-6H,3-4H2,1-2H3,(H,11,12,13)(H,14,15,16)