[5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] furan-2-carboxylate

Systemtic Name: [5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] furan-2-carboxylate Openeye Name: (5-acetoxy-3-butyl-7-methyl-6,8-dioxo-isochromen-7-yl) furan-2-carboxylate CAS Name: 2-furancarboxylic acid (5-acetyloxy-3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester IUPAC Name: (5-acetyloxy-3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (5-acetoxy-3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=CC=CO3)OC(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=CC=CO3)OC(=O)C

InChI

InChI=1S/C21H20O8/c1-4-5-7-13-10-14-15(11-27-13)18(23)21(3,19(24)17(14)28-12(2)22)29-20(25)16-8-6-9-26-16/h6,8-11H,4-5,7H2,1-3H3