disodium 2-(2-azanyl-2-oxidanylidene-1-sulfo-ethyl)-2-octyl-dodecanoate

Systemtic Name: disodium 2-(2-azanyl-2-oxidanylidene-1-sulfo-ethyl)-2-octyl-dodecanoate Openeye Name: disodium 2-(2-amino-2-oxo-1-sulfo-ethyl)-2-octyl-dodecanoate CAS Name: disodium 2-(2-amino-2-oxo-1-sulfoethyl)-2-octyldodecanoate IUPAC Name: disodium 2-(2-amino-2-oxo-1-sulfoethyl)-2-octyldodecanoate Traditional Name: disodium 2-(2-amino-2-keto-1-sulfo-ethyl)-2-octyl-laurate Formula: C44H84N2Na2O12S2 MolecularWeight: 943.2535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H43NO6S.2Na/c2*1-3-5-7-9-11-12-14-16-18-22(21(25)26,17-15-13-10-8-6-4-2)19(20(23)24)30(27,28)29;;/h2*19H,3-18H2,1-2H3,(H2,23,24)(H,25,26)(H,27,28,29);;/q;;2*+1/p-2