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

Systemtic Name: 2-[1-(3-azanyl-4-methoxy-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[1-(3-amino-4-methoxy-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[1-(3-amino-4-methoxyphenyl)-2-sulfooxyethyl]sulfonylethyl ester IUPAC Name: 2-[1-(3-amino-4-methoxyphenyl)-2-sulfooxyethyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[1-(3-amino-4-methoxy-phenyl)-2-sulfoxy-ethyl]sulfonylethyl ester Formula: C11H17NO11S3 MolecularWeight: 435.44778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)N

InChI

InChI=1S/C11H17NO11S3/c1-21-10-3-2-8(6-9(10)12)11(7-23-26(18,19)20)24(13,14)5-4-22-25(15,16)17/h2-3,6,11H,4-5,7,12H2,1H3,(H,15,16,17)(H,18,19,20)