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2-[3-azanyl-6-(ethylamino)-2-methyl-phenyl]ethanol sulfate hydrate

2-[3-azanyl-6-(ethylamino)-2-methyl-phenyl]ethanol sulfate hydrate

Systemtic Name:2-[3-azanyl-6-(ethylamino)-2-methyl-phenyl]ethanol sulfate hydrate
Openeye Name:2-[3-amino-6-(ethylamino)-2-methyl-phenyl]ethanol sulfate hydrate
CAS Name:2-[3-amino-6-(ethylamino)-2-methylphenyl]ethanol sulfate hydrate
IUPAC Name:2-[3-amino-6-(ethylamino)-2-methylphenyl]ethanol sulfate hydrate
Traditional Name:2-[3-amino-6-(ethylamino)-2-methyl-phenyl]ethanol sulfate hydrate
Formula: C11H20N2O6S-2
MolecularWeight: 308.3513
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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C(C=C1)N)C)CCO.O.[O-]S(=O)(=O)[O-]


Isomeric SMILES

CCNC1=C(C(=C(C=C1)N)C)CCO.O.[O-]S(=O)(=O)[O-]


InChI

InChI=1S/C11H18N2O.H2O4S.H2O/c1-3-13-11-5-4-10(12)8(2)9(11)6-7-14;1-5(2,3)4;/h4-5,13-14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4);1H2/p-2


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