4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-oxo-4-[2-[[(2E)-1-oxooctadeca-2,17-dienyl]amino]ethoxy]-2-sulfobutanoic acid IUPAC Name: 4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-keto-4-[2-[[(2E)-octadeca-2,17-dienoyl]amino]ethoxy]-2-sulfo-butyric acid Formula: C24H41NO8S MolecularWeight: 503.64924

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCCCCCCC=CC(=O)NCCOC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CCCCCCCCCCCCCC/C=C/C(=O)NCCOC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H41NO8S/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)/b17-16+