(2-phenyl-3-sulfooxy-propyl) hydrogen sulfate

Systemtic Name: (2-phenyl-3-sulfooxy-propyl) hydrogen sulfate Openeye Name: (2-phenyl-3-sulfooxy-propyl) hydrogen sulfate CAS Name: sulfuric acid (2-phenyl-3-sulfooxypropyl) ester IUPAC Name: (2-phenyl-3-sulfooxypropyl) hydrogen sulfate Traditional Name: sulfuric acid (2-phenyl-3-sulfoxy-propyl) ester Formula: C9H12O8S2 MolecularWeight: 312.31678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COS(=O)(=O)O)COS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(COS(=O)(=O)O)COS(=O)(=O)O

InChI

InChI=1S/C9H12O8S2/c10-18(11,12)16-6-9(7-17-19(13,14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)(H,13,14,15)