bis(2-hydroxyethyl)-[8-(2-oxidanylphenoxy)octyl]azanium; methanesulfonate

Systemtic Name: bis(2-hydroxyethyl)-[8-(2-oxidanylphenoxy)octyl]azanium; methanesulfonate Openeye Name: bis(2-hydroxyethyl)-[8-(2-hydroxyphenoxy)octyl]ammonium; methanesulfonate CAS Name: bis(2-hydroxyethyl)-[8-(2-hydroxyphenoxy)octyl]ammonium; methanesulfonate IUPAC Name: bis(2-hydroxyethyl)-[8-(2-hydroxyphenoxy)octyl]azanium; methanesulfonate Traditional Name: bis(2-hydroxyethyl)-[8-(2-hydroxyphenoxy)octyl]ammonium mesylate Formula: C19H35NO7S MolecularWeight: 421.5487

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C(=C1)O)OCCCCCCCC[NH+](CCO)CCO

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C(=C1)O)OCCCCCCCC[NH+](CCO)CCO

InChI

InChI=1S/C18H31NO4.CH4O3S/c20-14-12-19(13-15-21)11-7-3-1-2-4-8-16-23-18-10-6-5-9-17(18)22;1-5(2,3)4/h5-6,9-10,20-22H,1-4,7-8,11-16H2;1H3,(H,2,3,4)