[3-[4-[3-(3-bromophenyl)carbonyloxy-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 3-bromanylbenzoate

Systemtic Name: [3-[4-[3-(3-bromophenyl)carbonyloxy-2-oxidanyl-propoxy]phenoxy]-2-oxidanyl-propyl] 3-bromanylbenzoate Openeye Name: [3-[4-[3-(3-bromobenzoyl)oxy-2-hydroxy-propoxy]phenoxy]-2-hydroxy-propyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [3-[4-[3-[(3-bromophenyl)-oxomethoxy]-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[4-[3-(3-bromobenzoyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-[4-[3-(3-bromobenzoyl)oxy-2-hydroxy-propoxy]phenoxy]-2-hydroxy-propyl] ester Formula: C26H24Br2O8 MolecularWeight: 624.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC(COC2=CC=C(C=C2)OCC(COC(=O)C3=CC(=CC=C3)Br)O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OCC(COC2=CC=C(C=C2)OCC(COC(=O)C3=CC(=CC=C3)Br)O)O

InChI

InChI=1S/C26H24Br2O8/c27-19-5-1-3-17(11-19)25(31)35-15-21(29)13-33-23-7-9-24(10-8-23)34-14-22(30)16-36-26(32)18-4-2-6-20(28)12-18/h1-12,21-22,29-30H,13-16H2