2-[2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoyl-dimethyl-azaniumyl]pentanedioate

Systemtic Name: 2-[2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoyl-dimethyl-azaniumyl]pentanedioate Openeye Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]-dimethyl-ammonio]pentanedioate CAS Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-1-oxoethyl]-dimethylammonio]pentanedioate IUPAC Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetyl]-dimethylazaniumyl]pentanedioate Traditional Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]-dimethyl-ammonio]glutarate Formula: C24H26Br2NO7- MolecularWeight: 600.27374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC(=O)[N+](C)(C)C(CCC(=O)[O-])C(=O)[O-])Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC(=O)[N+](C)(C)C(CCC(=O)[O-])C(=O)[O-])Br)O

InChI

InChI=1S/C24H27Br2NO7/c1-13(2)16-12-15(5-7-20(16)28)34-23-17(25)9-14(10-18(23)26)11-21(29)27(3,4)19(24(32)33)6-8-22(30)31/h5,7,9-10,12-13,19H,6,8,11H2,1-4H3,(H2-,28,30,31,32,33)/p-1