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

Systemtic Name: disodium 4-[2-[2-(decylamino)ethylamino]ethylamino]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-[2-(decylamino)ethylamino]ethylamino]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[2-[2-(decylamino)ethylamino]ethylamino]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[2-[2-(decylamino)ethylamino]ethylamino]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-[2-[2-(decylamino)ethylamino]ethylamino]-4-keto-2-sulfonato-butyrate Formula: C18H35N3Na2O6S MolecularWeight: 467.53154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H37N3O6S.2Na/c1-2-3-4-5-6-7-8-9-10-19-11-12-20-13-14-21-17(22)15-16(18(23)24)28(25,26)27;;/h16,19-20H,2-15H2,1H3,(H,21,22)(H,23,24)(H,25,26,27);;/q;2*+1/p-2