disodium 4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-oxo-4-[2-[[(2E)-1-oxooctadeca-2,17-dienyl]amino]ethoxy]-2-sulfonatobutanoate IUPAC Name: disodium 4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-2-sulfonato-butyrate Formula: C24H39NNa2O8S MolecularWeight: 547.6129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO8S.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;;/h2,16-17,21H,1,3-15,18-20H2,(H,25,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/b17-16+;;