(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-carboxylate

Systemtic Name: (3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-carboxylate Openeye Name: (3-hexyl-4-methyl-2-oxo-chromen-7-yl) furan-2-carboxylate CAS Name: 2-furancarboxylic acid (3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-hexyl-4-methyl-2-oxochromen-7-yl) furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (3-hexyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OC(=O)C3=CC=CO3)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OC(=O)C3=CC=CO3)OC1=O)C

InChI

InChI=1S/C21H22O5/c1-3-4-5-6-8-17-14(2)16-11-10-15(13-19(16)26-20(17)22)25-21(23)18-9-7-12-24-18/h7,9-13H,3-6,8H2,1-2H3