disodium 4-[[(E)-octadec-9-enyl]amino]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[[(E)-octadec-9-enyl]amino]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[[(E)-octadec-9-enyl]amino]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[[(E)-octadec-9-enyl]amino]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[[(E)-octadec-9-enyl]amino]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[[(E)-octadec-9-enyl]amino]-2-sulfonato-butyrate Formula: C22H39NNa2O6S MolecularWeight: 491.5927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2/b10-9+;;