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

Systemtic Name: [5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 3-phenylpropanoate Openeye Name: [5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [5-bromo-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-isochromen-7-yl] ester Formula: C26H21BrO6 MolecularWeight: 509.34534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1(C(=O)C2=COC(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H21BrO6/c1-26(33-22(28)13-8-16-6-4-3-5-7-16)24(29)20-15-32-21(14-19(20)23(27)25(26)30)17-9-11-18(31-2)12-10-17/h3-7,9-12,14-15H,8,13H2,1-2H3