2-[1-(4-azanyl-3-oxidanyl-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[1-(4-azanyl-3-oxidanyl-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[1-(4-amino-3-hydroxy-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[1-(4-amino-3-hydroxyphenyl)-2-sulfooxyethyl]sulfonylethyl ester IUPAC Name: 2-[1-(4-amino-3-hydroxyphenyl)-2-sulfooxyethyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[1-(4-amino-3-hydroxy-phenyl)-2-sulfoxy-ethyl]sulfonylethyl ester Formula: C10H15NO11S3 MolecularWeight: 421.4212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)O)N

InChI

InChI=1S/C10H15NO11S3/c11-8-2-1-7(5-9(8)12)10(6-22-25(18,19)20)23(13,14)4-3-21-24(15,16)17/h1-2,5,10,12H,3-4,6,11H2,(H,15,16,17)(H,18,19,20)