4-oxidanylidene-4-[2-[[(E)-12-oxidanyloctadec-9-enoyl]amino]ethoxy]-2-sulfo-butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-[[(E)-12-oxidanyloctadec-9-enoyl]amino]ethoxy]-2-sulfo-butanoic acid Openeye Name: 4-[2-[[(E)-12-hydroxyoctadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[2-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]ethoxy]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[2-[[(E)-12-hydroxyoctadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[2-[[(E)-12-hydroxyoctadec-9-enoyl]amino]ethoxy]-4-keto-2-sulfo-butyric acid Formula: C24H43NO9S MolecularWeight: 521.66452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NCCOC(=O)CC(C(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)NCCOC(=O)CC(C(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C24H43NO9S/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-23(28)19-21(24(29)30)35(31,32)33/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,29,30)(H,31,32,33)/b12-9+