(5-dodecanoyloxy-6-methyl-pyridin-3-yl)methyl dodecanoate

Systemtic Name: (5-dodecanoyloxy-6-methyl-pyridin-3-yl)methyl dodecanoate Openeye Name: (5-dodecanoyloxy-6-methyl-3-pyridyl)methyl dodecanoate CAS Name: dodecanoic acid [6-methyl-5-(1-oxododecoxy)-3-pyridinyl]methyl ester IUPAC Name: (5-dodecanoyloxy-6-methylpyridin-3-yl)methyl dodecanoate Traditional Name: lauric acid (5-lauroyloxy-6-methyl-3-pyridyl)methyl ester Formula: C31H53NO4 MolecularWeight: 503.75682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1=CC(=C(N=C1)C)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1=CC(=C(N=C1)C)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C31H53NO4/c1-4-6-8-10-12-14-16-18-20-22-30(33)35-26-28-24-29(27(3)32-25-28)36-31(34)23-21-19-17-15-13-11-9-7-5-2/h24-25H,4-23,26H2,1-3H3