sodium 2-[(5-dodecyl-2-oxidanyl-phenyl)methyl-methyl-amino]ethanoate

Systemtic Name: sodium 2-[(5-dodecyl-2-oxidanyl-phenyl)methyl-methyl-amino]ethanoate Openeye Name: sodium 2-[(5-dodecyl-2-hydroxy-phenyl)methyl-methyl-amino]acetate CAS Name: sodium 2-[(5-dodecyl-2-hydroxyphenyl)methyl-methylamino]acetate IUPAC Name: sodium 2-[(5-dodecyl-2-hydroxyphenyl)methyl-methylamino]acetate Traditional Name: sodium 2-[(2-hydroxy-5-lauryl-benzyl)-methyl-amino]acetate Formula: C22H36NNaO3 MolecularWeight: 385.51591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)O)CN(C)CC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)O)CN(C)CC(=O)[O-].[Na+]

InChI

InChI=1S/C22H37NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-15-21(24)20(16-19)17-23(2)18-22(25)26;/h14-16,24H,3-13,17-18H2,1-2H3,(H,25,26);/q;+1/p-1