disodium 4-[2-[2-(dodecylamino)ethylamino]ethylamino]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[2-[2-(dodecylamino)ethylamino]ethylamino]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-[2-(dodecylamino)ethylamino]ethylamino]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[2-[2-(dodecylamino)ethylamino]ethylamino]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[2-[2-(dodecylamino)ethylamino]ethylamino]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[2-[2-(laurylamino)ethylamino]ethylamino]-2-sulfonato-butyrate Formula: C20H39N3Na2O6S MolecularWeight: 495.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCCNCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCNCCNCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H41N3O6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-14-22-15-16-23-19(24)17-18(20(25)26)30(27,28)29;;/h18,21-22H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2