(phenylmethyl) 2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: (phenylmethyl) 2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: benzyl 2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetic acid benzyl ester Formula: C25H28O5 MolecularWeight: 408.48682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O5/c1-3-4-5-9-12-22-18(2)21-14-13-20(15-23(21)30-25(22)27)28-17-24(26)29-16-19-10-7-6-8-11-19/h6-8,10-11,13-15H,3-5,9,12,16-17H2,1-2H3