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

Systemtic Name: disodium 4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-oxo-4-[[(E)-1-oxooctadec-9-enyl]amino]oxy-3-sulfonatobutanoate IUPAC Name: disodium 4-[[(E)-octadec-9-enoyl]amino]oxy-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[[(E)-octadec-9-enoyl]amino]oxy-3-sulfonato-butyrate Formula: C22H37NNa2O8S MolecularWeight: 521.57562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-31-22(27)19(18-21(25)26)32(28,29)30;;/h9-10,19H,2-8,11-18H2,1H3,(H,23,24)(H,25,26)(H,28,29,30);;/q;2*+1/p-2/b10-9+;;