[5-(2-hydroxyethylamino)-2-methyl-phenyl] hydrogen sulfate

Systemtic Name: [5-(2-hydroxyethylamino)-2-methyl-phenyl] hydrogen sulfate Openeye Name: [5-(2-hydroxyethylamino)-2-methyl-phenyl] hydrogen sulfate CAS Name: sulfuric acid [5-(2-hydroxyethylamino)-2-methylphenyl] ester IUPAC Name: [5-(2-hydroxyethylamino)-2-methylphenyl] hydrogen sulfate Traditional Name: sulfuric acid [5-(2-hydroxyethylamino)-2-methyl-phenyl] ester Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCCO)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NCCO)OS(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c1-7-2-3-8(10-4-5-11)6-9(7)15-16(12,13)14/h2-3,6,10-11H,4-5H2,1H3,(H,12,13,14)