methyl 2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-oxidanyl-octadecanoate

Systemtic Name: methyl 2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-oxidanyl-octadecanoate Openeye Name: methyl 3-hydroxy-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]octadecanoate CAS Name: 3-hydroxy-2-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]octadecanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]octadecanoate Traditional Name: 3-hydroxy-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]stearic acid methyl ester Formula: C37H69NO4 MolecularWeight: 591.94806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C(=O)OC)NC(=O)CCCCCCCC=CCC=CCCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C37H69NO4/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-35(40)38-36(37(41)42-3)34(39)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,34,36,39H,4-11,13,15-17,20-33H2,1-3H3,(H,38,40)/b14-12+,19-18+