methyl 12-(4-methylpentan-2-yloxy)octadecanoate

Systemtic Name: methyl 12-(4-methylpentan-2-yloxy)octadecanoate Openeye Name: methyl 12-(1,3-dimethylbutoxy)octadecanoate CAS Name: 12-(4-methylpentan-2-yloxy)octadecanoic acid methyl ester IUPAC Name: methyl 12-(4-methylpentan-2-yloxy)octadecanoate Traditional Name: 12-(1,3-dimethylbutoxy)stearic acid methyl ester Formula: C25H50O3 MolecularWeight: 398.6627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OC)OC(C)CC(C)C

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OC)OC(C)CC(C)C

InChI

InChI=1S/C25H50O3/c1-6-7-8-15-18-24(28-23(4)21-22(2)3)19-16-13-11-9-10-12-14-17-20-25(26)27-5/h22-24H,6-21H2,1-5H3