[5-methyl-2-(3-methylbutyl)-6-oxidanylidene-3-propyl-pyran-4-yl] benzoate

Systemtic Name: [5-methyl-2-(3-methylbutyl)-6-oxidanylidene-3-propyl-pyran-4-yl] benzoate Openeye Name: (2-isopentyl-5-methyl-6-oxo-3-propyl-pyran-4-yl) benzoate CAS Name: benzoic acid [5-methyl-2-(3-methylbutyl)-6-oxo-3-propyl-4-pyranyl] ester IUPAC Name: [5-methyl-2-(3-methylbutyl)-6-oxo-3-propylpyran-4-yl] benzoate Traditional Name: benzoic acid (2-isoamyl-6-keto-5-methyl-3-propyl-pyran-4-yl) ester Formula: C21H26O4 MolecularWeight: 342.42874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC(=O)C(=C1OC(=O)C2=CC=CC=C2)C)CCC(C)C

Isomeric SMILES

CCCC1=C(OC(=O)C(=C1OC(=O)C2=CC=CC=C2)C)CCC(C)C

InChI

InChI=1S/C21H26O4/c1-5-9-17-18(13-12-14(2)3)24-20(22)15(4)19(17)25-21(23)16-10-7-6-8-11-16/h6-8,10-11,14H,5,9,12-13H2,1-4H3