octadecyl 7-methyloctanoate

Systemtic Name: octadecyl 7-methyloctanoate Openeye Name: octadecyl 7-methyloctanoate CAS Name: 7-methyloctanoic acid octadecyl ester IUPAC Name: octadecyl 7-methyloctanoate Traditional Name: 7-methylcaprylic acid stearyl ester Formula: C27H54O2 MolecularWeight: 410.71646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C

InChI

InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-27(28)24-21-19-20-23-26(2)3/h26H,4-25H2,1-3H3