(phenylmethyl) 2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: (phenylmethyl) 2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: benzyl 2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetic acid benzyl ester Formula: C26H30O5 MolecularWeight: 422.5134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)OCC3=CC=CC=C3)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)OCC3=CC=CC=C3)C)OC1=O)C

InChI

InChI=1S/C26H30O5/c1-4-5-6-10-13-22-18(2)21-14-15-23(19(3)25(21)31-26(22)28)29-17-24(27)30-16-20-11-8-7-9-12-20/h7-9,11-12,14-15H,4-6,10,13,16-17H2,1-3H3