ethyl sulfate; hexan-2-yl-bis(2-hydroxyethyl)azanium

Systemtic Name: ethyl sulfate; hexan-2-yl-bis(2-hydroxyethyl)azanium Openeye Name: bis(2-hydroxyethyl)-(1-methylpentyl)ammonium; ethyl sulfate CAS Name: ethyl sulfate; hexan-2-yl-bis(2-hydroxyethyl)ammonium IUPAC Name: ethyl sulfate; hexan-2-yl-bis(2-hydroxyethyl)azanium Traditional Name: bis(2-hydroxyethyl)-(1-methylpentyl)ammonium; ethyl sulfate Formula: C12H29NO6S MolecularWeight: 315.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)[NH+](CCO)CCO.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCC(C)[NH+](CCO)CCO.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C10H23NO2.C2H6O4S/c1-3-4-5-10(2)11(6-8-12)7-9-13;1-2-6-7(3,4)5/h10,12-13H,3-9H2,1-2H3;2H2,1H3,(H,3,4,5)