ethyl 6-butyl-3-methyl-4-oxidanylidene-2-(phenylmethoxymethyl)decanoate

Systemtic Name: ethyl 6-butyl-3-methyl-4-oxidanylidene-2-(phenylmethoxymethyl)decanoate Openeye Name: ethyl 2-(benzyloxymethyl)-6-butyl-3-methyl-4-oxo-decanoate CAS Name: 6-butyl-3-methyl-4-oxo-2-(phenylmethoxymethyl)decanoic acid ethyl ester IUPAC Name: ethyl 6-butyl-3-methyl-4-oxo-2-(phenylmethoxymethyl)decanoate Traditional Name: 2-(benzoxymethyl)-6-butyl-4-keto-3-methyl-capric acid ethyl ester Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CC(=O)C(C)C(COCC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCC(CCCC)CC(=O)C(C)C(COCC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C25H40O4/c1-5-8-13-21(14-9-6-2)17-24(26)20(4)23(25(27)29-7-3)19-28-18-22-15-11-10-12-16-22/h10-12,15-16,20-21,23H,5-9,13-14,17-19H2,1-4H3