sodium 2-ethyl-1-[4-(octylamino)-4-oxidanylidene-butanoyl]oxy-hexane-1-sulfonate

Systemtic Name: sodium 2-ethyl-1-[4-(octylamino)-4-oxidanylidene-butanoyl]oxy-hexane-1-sulfonate Openeye Name: sodium 2-ethyl-1-[4-(octylamino)-4-oxo-butanoyl]oxy-hexane-1-sulfonate CAS Name: sodium 2-ethyl-1-[4-(octylamino)-1,4-dioxobutoxy]-1-hexanesulfonate IUPAC Name: sodium 2-ethyl-1-[4-(octylamino)-4-oxobutanoyl]oxyhexane-1-sulfonate Traditional Name: sodium 2-ethyl-1-[4-keto-4-(octylamino)butanoyl]oxy-hexane-1-sulfonate Formula: C20H38NNaO6S MolecularWeight: 443.57359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCC(=O)OC(C(CC)CCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCNC(=O)CCC(=O)OC(C(CC)CCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H39NO6S.Na/c1-4-7-9-10-11-12-16-21-18(22)14-15-19(23)27-20(28(24,25)26)17(6-3)13-8-5-2;/h17,20H,4-16H2,1-3H3,(H,21,22)(H,24,25,26);/q;+1/p-1