disodium 2-[2-[dodecanoyl-(2-oxidanyl-3-sulfonato-propyl)amino]ethyl-(2-hydroxyethyl)amino]ethanoate

Systemtic Name: disodium 2-[2-[dodecanoyl-(2-oxidanyl-3-sulfonato-propyl)amino]ethyl-(2-hydroxyethyl)amino]ethanoate Openeye Name: disodium 2-[2-[dodecanoyl-(2-hydroxy-3-sulfonato-propyl)amino]ethyl-(2-hydroxyethyl)amino]acetate CAS Name: disodium 2-[2-hydroxyethyl-[2-[(2-hydroxy-3-sulfonatopropyl)-(1-oxododecyl)amino]ethyl]amino]acetate IUPAC Name: disodium 2-[2-[dodecanoyl-(2-hydroxy-3-sulfonatopropyl)amino]ethyl-(2-hydroxyethyl)amino]acetate Traditional Name: disodium 2-[2-hydroxyethyl-[2-[(2-hydroxy-3-sulfonato-propyl)-lauroyl-amino]ethyl]amino]acetate Formula: C21H40N2Na2O8S MolecularWeight: 526.59544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(CS(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(CS(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C21H42N2O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-20(26)23(16-19(25)18-32(29,30)31)13-12-22(14-15-24)17-21(27)28;;/h19,24-25H,2-18H2,1H3,(H,27,28)(H,29,30,31);;/q;2*+1/p-2