2-[[(E)-7,13-bis(oxidanyl)octadec-2-enoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[(E)-7,13-bis(oxidanyl)octadec-2-enoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(E)-7,13-dihydroxyoctadec-2-enoyl]amino]ethanesulfonic acid CAS Name: 2-[[(E)-7,13-dihydroxy-1-oxooctadec-2-enyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(E)-7,13-dihydroxyoctadec-2-enoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(E)-7,13-dihydroxyoctadec-2-enoyl]amino]ethanesulfonic acid Formula: C20H39NO6S MolecularWeight: 421.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCC(CCCC=CC(=O)NCCS(=O)(=O)O)O)O

Isomeric SMILES

CCCCCC(CCCCCC(CCC/C=C/C(=O)NCCS(=O)(=O)O)O)O

InChI

InChI=1S/C20H39NO6S/c1-2-3-6-11-18(22)12-7-4-8-13-19(23)14-9-5-10-15-20(24)21-16-17-28(25,26)27/h10,15,18-19,22-23H,2-9,11-14,16-17H2,1H3,(H,21,24)(H,25,26,27)/b15-10+