magnesium; sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-dodecylbenzenesulfonate

Systemtic Name: magnesium; sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-dodecylbenzenesulfonate Openeye Name: magnesium; sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-dodecylbenzenesulfonate CAS Name: magnesium; sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-dodecylbenzenesulfonate IUPAC Name: magnesium; sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-dodecylbenzenesulfonate Traditional Name: magnesium; sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-laurylbesylate Formula: C60H102MgNNaO12S3 MolecularWeight: 1172.94115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(CO)N(CCO)CCO.[Na+].[Mg+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(CO)N(CCO)CCO.[Na+].[Mg+2]

InChI

InChI=1S/3C18H30O3S.C6H15NO3.Mg.Na/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;8-4-1-7(2-5-9)3-6-10;;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);8-10H,1-6H2;;/q;;;;+2;+1/p-3