4-methylpentyl 7-methyl-3-(4-methylpentyl)octanoate

Systemtic Name: 4-methylpentyl 7-methyl-3-(4-methylpentyl)octanoate Openeye Name: isohexyl 3-isohexyl-7-methyl-octanoate CAS Name: 7-methyl-3-(4-methylpentyl)octanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 7-methyl-3-(4-methylpentyl)octanoate Traditional Name: 3-isohexyl-7-methyl-caprylic acid isohexyl ester Formula: C21H42O2 MolecularWeight: 326.55698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CCCC(C)C)CC(=O)OCCCC(C)C

Isomeric SMILES

CC(C)CCCC(CCCC(C)C)CC(=O)OCCCC(C)C

InChI

InChI=1S/C21H42O2/c1-17(2)10-7-13-20(14-8-11-18(3)4)16-21(22)23-15-9-12-19(5)6/h17-20H,7-16H2,1-6H3