[2-(4-methoxyphenyl)-8-(3-methyl-3-oxidanyl-butyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] 2-ethoxyethanoate

Systemtic Name: [2-(4-methoxyphenyl)-8-(3-methyl-3-oxidanyl-butyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] 2-ethoxyethanoate Openeye Name: [5,7-dihydroxy-8-(3-hydroxy-3-methyl-butyl)-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4-oxochromen-3-yl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [5,7-dihydroxy-8-(3-hydroxy-3-methyl-butyl)-4-keto-2-(4-methoxyphenyl)chromen-3-yl] ester Formula: C25H28O9 MolecularWeight: 472.48442

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OC1=C(OC2=C(C1=O)C(=CC(=C2CCC(C)(C)O)O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOCC(=O)OC1=C(OC2=C(C1=O)C(=CC(=C2CCC(C)(C)O)O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H28O9/c1-5-32-13-19(28)33-24-21(29)20-18(27)12-17(26)16(10-11-25(2,3)30)23(20)34-22(24)14-6-8-15(31-4)9-7-14/h6-9,12,26-27,30H,5,10-11,13H2,1-4H3