disodium 4-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfo-butanoate CAS Name: disodium 4-oxo-4-[1-[[(E)-1-oxooctadec-9-enyl]amino]ethoxy]-3-sulfobutanoate IUPAC Name: disodium 4-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfobutanoate Traditional Name: disodium 4-keto-4-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]-3-sulfo-butyrate Formula: C24H42NNa2O8S+ MolecularWeight: 550.63672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-20(2)33-24(29)21(19-23(27)28)34(30,31)32;;/h10-11,20-21H,3-9,12-19H2,1-2H3,(H,25,26)(H,27,28)(H,30,31,32);;/q;2*+1/p-1/b11-10+;;