[5-(2-hydroxyethylamino)-2-methyl-phenyl] hydrogen sulfate; 2-[(4-methylphenyl)amino]ethanol

Systemtic Name: [5-(2-hydroxyethylamino)-2-methyl-phenyl] hydrogen sulfate; 2-[(4-methylphenyl)amino]ethanol Openeye Name: [5-(2-hydroxyethylamino)-2-methyl-phenyl] hydrogen sulfate; 2-(4-methylanilino)ethanol CAS Name: 2-(4-methylanilino)ethanol; sulfuric acid [5-(2-hydroxyethylamino)-2-methylphenyl] ester IUPAC Name: [5-(2-hydroxyethylamino)-2-methylphenyl] hydrogen sulfate; 2-(4-methylanilino)ethanol Traditional Name: 2-(p-toluidino)ethanol; sulfuric acid [5-(2-hydroxyethylamino)-2-methyl-phenyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO5S.C9H13NO/c1-7-2-3-8(10-4-5-11)6-9(7)15-16(12,13)14;1-8-2-4-9(5-3-8)10-6-7-11/h2-3,6,10-11H,4-5H2,1H3,(H,12,13,14);2-5,10-11H,6-7H2,1H3