(7E,10E)-5-(2-formamido-4-methyl-pentanoyl)oxy-2-hexyl-3-oxidanyl-hexadeca-7,10-dienoic acid

Systemtic Name: (7E,10E)-5-(2-formamido-4-methyl-pentanoyl)oxy-2-hexyl-3-oxidanyl-hexadeca-7,10-dienoic acid Openeye Name: (7E,10E)-5-(2-formamido-4-methyl-pentanoyl)oxy-2-hexyl-3-hydroxy-hexadeca-7,10-dienoic acid CAS Name: (7E,10E)-5-(2-formamido-4-methyl-1-oxopentoxy)-2-hexyl-3-hydroxyhexadeca-7,10-dienoic acid IUPAC Name: (7E,10E)-5-(2-formamido-4-methylpentanoyl)oxy-2-hexyl-3-hydroxyhexadeca-7,10-dienoic acid Traditional Name: (7E,10E)-5-(2-formamido-4-methyl-pentanoyl)oxy-2-hexyl-3-hydroxy-hexadeca-7,10-dienoic acid Formula: C29H51NO6 MolecularWeight: 509.71834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC(CC=CCC=CCCCCC)OC(=O)C(CC(C)C)NC=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C(CC(C/C=C/C/C=C/CCCCC)OC(=O)C(CC(C)C)NC=O)O)C(=O)O

InChI

InChI=1S/C29H51NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h12-13,15-16,22-27,32H,5-11,14,17-21H2,1-4H3,(H,30,31)(H,33,34)/b13-12+,16-15+