[(4Z)-2-(hydroxymethyl)-5-oxidanylidene-4-(phenylmethylidene)oxolan-2-yl]methyl 2-ethylhexanoate

Systemtic Name: [(4Z)-2-(hydroxymethyl)-5-oxidanylidene-4-(phenylmethylidene)oxolan-2-yl]methyl 2-ethylhexanoate Openeye Name: [(4Z)-4-benzylidene-2-(hydroxymethyl)-5-oxo-tetrahydrofuran-2-yl]methyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [(4Z)-2-(hydroxymethyl)-5-oxo-4-(phenylmethylene)-2-oxolanyl]methyl ester IUPAC Name: [(4Z)-4-benzylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [(4Z)-4-benzal-5-keto-2-methylol-tetrahydrofuran-2-yl]methyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCC1(CC(=CC2=CC=CC=C2)C(=O)O1)CO

Isomeric SMILES

CCCCC(CC)C(=O)OCC1(C/C(=C/C2=CC=CC=C2)/C(=O)O1)CO

InChI

InChI=1S/C21H28O5/c1-3-5-11-17(4-2)19(23)25-15-21(14-22)13-18(20(24)26-21)12-16-9-7-6-8-10-16/h6-10,12,17,22H,3-5,11,13-15H2,1-2H3/b18-12-