2-[1-(4-azanyl-2,5-dimethoxy-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[1-(4-azanyl-2,5-dimethoxy-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[1-(4-amino-2,5-dimethoxy-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[1-(4-amino-2,5-dimethoxyphenyl)-2-sulfooxyethyl]sulfonylethyl ester IUPAC Name: 2-[1-(4-amino-2,5-dimethoxyphenyl)-2-sulfooxyethyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[1-(4-amino-2,5-dimethoxy-phenyl)-2-sulfoxy-ethyl]sulfonylethyl ester Formula: C12H19NO12S3 MolecularWeight: 465.47376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)OC)N

Isomeric SMILES

COC1=CC(=C(C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)OC)N

InChI

InChI=1S/C12H19NO12S3/c1-22-10-6-9(13)11(23-2)5-8(10)12(7-25-28(19,20)21)26(14,15)4-3-24-27(16,17)18/h5-6,12H,3-4,7,13H2,1-2H3,(H,16,17,18)(H,19,20,21)