methyl 12,12-dimethyltridecanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: methyl 12,12-dimethyltridecanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: methyl 12,12-dimethyltridecanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 12,12-dimethyltridecanoic acid methyl ester; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: methyl 12,12-dimethyltridecanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 12,12-dimethyltridecanoic acid methyl ester; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCCCCCCCC(=O)OC.C1=CC2=CC=C1O2

Isomeric SMILES

CC(C)(C)CCCCCCCCCCC(=O)OC.C1=CC2=CC=C1O2

InChI

InChI=1S/C16H32O2.C6H4O/c1-16(2,3)14-12-10-8-6-5-7-9-11-13-15(17)18-4;1-2-6-4-3-5(1)7-6/h5-14H2,1-4H3;1-4H