methyl 3-butyl-2-heptyl-nonanoate

Systemtic Name: methyl 3-butyl-2-heptyl-nonanoate Openeye Name: methyl 3-butyl-2-heptyl-nonanoate CAS Name: 3-butyl-2-heptylnonanoic acid methyl ester IUPAC Name: methyl 3-butyl-2-heptylnonanoate Traditional Name: 3-butyl-2-heptyl-pelargonic acid methyl ester Formula: C21H42O2 MolecularWeight: 326.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCC)CCCCCC)C(=O)OC

Isomeric SMILES

CCCCCCCC(C(CCCC)CCCCCC)C(=O)OC

InChI

InChI=1S/C21H42O2/c1-5-8-11-13-15-18-20(21(22)23-4)19(16-10-7-3)17-14-12-9-6-2/h19-20H,5-18H2,1-4H3