disodium 2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxo-3-sulfonato-butanoate CAS Name: disodium 2,3-diethoxy-4-oxo-4-[[(E)-1-oxooctadec-9-enyl]amino]oxy-3-sulfonatobutanoate IUPAC Name: disodium 2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 2,3-diethoxy-4-keto-4-[[(E)-octadec-9-enoyl]amino]oxy-3-sulfonato-butyrate Formula: C26H45NNa2O10S MolecularWeight: 609.68074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NOC(=O)C(C(C(=O)[O-])OCC)(OCC)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NOC(=O)C(C(C(=O)[O-])OCC)(OCC)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H47NO10S.2Na/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(28)27-37-25(31)26(36-6-3,38(32,33)34)23(24(29)30)35-5-2;;/h13-14,23H,4-12,15-21H2,1-3H3,(H,27,28)(H,29,30)(H,32,33,34);;/q;2*+1/p-2/b14-13+;;