bicyclo[2.2.2]octa-1,3,5,7-tetraene; methyl octadecanoate

Systemtic Name: bicyclo[2.2.2]octa-1,3,5,7-tetraene; methyl octadecanoate Openeye Name: bicyclo[2.2.2]octa-1,3,5,7-tetraene; methyl octadecanoate CAS Name: bicyclo[2.2.2]octa-1,3,5,7-tetraene; octadecanoic acid methyl ester IUPAC Name: bicyclo[2.2.2]octa-1,3,5,7-tetraene; methyl octadecanoate Traditional Name: bicyclo[2.2.2]octa-1,3,5,7-tetraene; stearic acid methyl ester Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC.C1=CC2=CC=C1C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC.C1=CC2=CC=C1C=C2

InChI

InChI=1S/C19H38O2.C8H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-2-8-5-3-7(1)4-6-8/h3-18H2,1-2H3;1-6H