O4-[5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] O1-methyl butanedioate

Systemtic Name: O4-[5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] O1-methyl butanedioate Openeye Name: O4-[5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester O1-methyl ester IUPAC Name: 4-O-[5-bromo-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[5-bromo-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-isochromen-7-yl] ester O1-methyl ester Formula: C22H19BrO8 MolecularWeight: 491.28546

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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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrO8/c1-22(31-18(25)9-8-17(24)29-3)20(26)15-11-30-16(10-14(15)19(23)21(22)27)12-4-6-13(28-2)7-5-12/h4-7,10-11H,8-9H2,1-3H3