(6E,8E)-5-acetyloxy-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-icosa-6,8-dienoic acid

Systemtic Name: (6E,8E)-5-acetyloxy-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-icosa-6,8-dienoic acid Openeye Name: (6E,8E)-5-acetoxy-2-amino-3-hydroxy-2-(hydroxymethyl)icosa-6,8-dienoic acid CAS Name: (6E,8E)-5-acetyloxy-2-amino-3-hydroxy-2-(hydroxymethyl)eicosa-6,8-dienoic acid IUPAC Name: (6E,8E)-5-acetyloxy-2-amino-3-hydroxy-2-(hydroxymethyl)icosa-6,8-dienoic acid Traditional Name: (6E,8E)-5-acetoxy-2-amino-3-hydroxy-2-methylol-eicosa-6,8-dienoic acid Formula: C23H41NO6 MolecularWeight: 427.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC=CC(CC(C(CO)(C(=O)O)N)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC/C=C/C=C/C(CC(C(CO)(C(=O)O)N)O)OC(=O)C

InChI

InChI=1S/C23H41NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(30-19(2)26)17-21(27)23(24,18-25)22(28)29/h13-16,20-21,25,27H,3-12,17-18,24H2,1-2H3,(H,28,29)/b14-13+,16-15+