[1-(4-azanyl-5-methoxy-2-methyl-phenyl)-2-oxidanyl-ethyl] sulfo sulfate

Systemtic Name: [1-(4-azanyl-5-methoxy-2-methyl-phenyl)-2-oxidanyl-ethyl] sulfo sulfate Openeye Name: [1-(4-amino-5-methoxy-2-methyl-phenyl)-2-hydroxy-ethyl] sulfo sulfate CAS Name: sulfuric acid [1-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl] sulfo ester IUPAC Name: [1-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl] sulfo sulfate Traditional Name: sulfuric acid [1-(4-amino-5-methoxy-2-methyl-phenyl)-2-hydroxy-ethyl] sulfo ester Formula: C10H15NO9S2 MolecularWeight: 357.3574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(CO)OS(=O)(=O)OS(=O)(=O)O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1C(CO)OS(=O)(=O)OS(=O)(=O)O)OC)N

InChI

InChI=1S/C10H15NO9S2/c1-6-3-8(11)9(18-2)4-7(6)10(5-12)19-22(16,17)20-21(13,14)15/h3-4,10,12H,5,11H2,1-2H3,(H,13,14,15)