2-(4-acetamidophenyl)sulfonylethyl hydrogen sulfate

Systemtic Name: 2-(4-acetamidophenyl)sulfonylethyl hydrogen sulfate Openeye Name: 2-(4-acetamidophenyl)sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-(4-acetamidophenyl)sulfonylethyl ester IUPAC Name: 2-(4-acetamidophenyl)sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-(4-acetamidophenyl)sulfonylethyl ester Formula: C10H13NO7S2 MolecularWeight: 323.34272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C10H13NO7S2/c1-8(12)11-9-2-4-10(5-3-9)19(13,14)7-6-18-20(15,16)17/h2-5H,6-7H2,1H3,(H,11,12)(H,15,16,17)