methyl 4-[(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxymethyl]benzoic acid methyl ester Formula: C26H30O5 MolecularWeight: 422.5134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O5/c1-5-6-7-8-9-22-17(2)21-14-15-23(18(3)24(21)31-26(22)28)30-16-19-10-12-20(13-11-19)25(27)29-4/h10-15H,5-9,16H2,1-4H3