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

Systemtic Name: disodium 4-[2-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-oxo-4-[2-[[(E)-1-oxooctadec-9-enyl]amino]ethoxy]-2-sulfonatobutanoate IUPAC Name: disodium 4-[2-[[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[2-[[(E)-octadec-9-enoyl]amino]ethoxy]-2-sulfonato-butyrate Formula: C24H41NNa2O8S MolecularWeight: 549.62878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-18-19-33-23(27)20-21(24(28)29)34(30,31)32;;/h9-10,21H,2-8,11-20H2,1H3,(H,25,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/b10-9+;;