[5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] propanoate

Systemtic Name: [5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] propanoate Openeye Name: [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] propanoate CAS Name: propanoic acid [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] propanoate Traditional Name: propionic acid [5-bromo-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-isochromen-7-yl] ester Formula: C20H17BrO6 MolecularWeight: 433.24938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC(=O)OC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H17BrO6/c1-4-16(22)27-20(2)18(23)14-10-26-15(9-13(14)17(21)19(20)24)11-5-7-12(25-3)8-6-11/h5-10H,4H2,1-3H3