sodium 1-dodecoxy-4-(2-hydroxyethylamino)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1-dodecoxy-4-(2-hydroxyethylamino)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1-dodecoxy-4-(2-hydroxyethylamino)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1-dodecoxy-4-(2-hydroxyethylamino)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1-dodecoxy-4-(2-hydroxyethylamino)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-(2-hydroxyethylamino)-1,4-diketo-1-lauryloxy-butane-2-sulfonate Formula: C18H34NNaO7S MolecularWeight: 431.51983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35NO7S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-26-18(22)16(27(23,24)25)15-17(21)19-12-13-20;/h16,20H,2-15H2,1H3,(H,19,21)(H,23,24,25);/q;+1/p-1