2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxo-3-sulfo-butanoic acid CAS Name: 2,3-diethoxy-4-oxo-4-[[(E)-1-oxooctadec-9-enyl]amino]oxy-3-sulfobutanoic acid IUPAC Name: 2,3-diethoxy-4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxo-3-sulfobutanoic acid Traditional Name: 2,3-diethoxy-4-keto-4-[[(E)-octadec-9-enoyl]amino]oxy-3-sulfo-butyric acid Formula: C26H47NO10S MolecularWeight: 565.71708

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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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NOC(=O)C(C(C(=O)O)OCC)(OCC)S(=O)(=O)O

InChI

InChI=1S/C26H47NO10S/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)/b14-13+