[(E)-6-azanyl-5-methyl-1,2-bis(oxidanyl)-6-oxidanylidene-hex-4-en-3-yl] (E)-hexadec-9-enoate

Systemtic Name: [(E)-6-azanyl-5-methyl-1,2-bis(oxidanyl)-6-oxidanylidene-hex-4-en-3-yl] (E)-hexadec-9-enoate Openeye Name: [(E)-4-amino-1-(1,2-dihydroxyethyl)-3-methyl-4-oxo-but-2-enyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [(E)-6-amino-1,2-dihydroxy-5-methyl-6-oxohex-4-en-3-yl] ester IUPAC Name: [(E)-6-amino-1,2-dihydroxy-5-methyl-6-oxohex-4-en-3-yl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [(E)-4-amino-1-(1,2-dihydroxyethyl)-4-keto-3-methyl-but-2-enyl] ester Formula: C23H41NO5 MolecularWeight: 411.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OC(C=C(C)C(=O)N)C(CO)O

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OC(/C=C(\C)/C(=O)N)C(CO)O

InChI

InChI=1S/C23H41NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)29-21(20(26)18-25)17-19(2)23(24)28/h8-9,17,20-21,25-26H,3-7,10-16,18H2,1-2H3,(H2,24,28)/b9-8+,19-17+