trisodium 1-[bis(1-sulfonatoethyl)amino]ethanesulfonate

Systemtic Name: trisodium 1-[bis(1-sulfonatoethyl)amino]ethanesulfonate Openeye Name: trisodium 1-[bis(1-sulfonatoethyl)amino]ethanesulfonate CAS Name: trisodium 1-[bis(1-sulfonatoethyl)amino]ethanesulfonate IUPAC Name: trisodium 1-[bis(1-sulfonatoethyl)amino]ethanesulfonate Traditional Name: trisodium 1-[bis(1-sulfonatoethyl)amino]ethanesulfonate Formula: C6H12NNa3O9S3 MolecularWeight: 407.32509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H15NO9S3.3Na/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16;;;/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16);;;/q;3*+1/p-3