tris[[3,6-bis(bromanyl)-2-oxidanyl-phenyl]carbonyl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[[3,6-bis(bromanyl)-2-oxidanyl-phenyl]carbonyl] benzene-1,3,5-tricarboxylate Openeye Name: tris(3,6-dibromo-2-hydroxy-benzoyl) benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[(3,6-dibromo-2-hydroxyphenyl)-oxomethyl] ester IUPAC Name: tris(3,6-dibromo-2-hydroxybenzoyl) benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris(3,6-dibromo-2-hydroxy-benzoyl) ester Formula: C30H12Br6O12 MolecularWeight: 1043.83308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1Br)C(=O)OC(=O)C2=CC(=CC(=C2)C(=O)OC(=O)C3=C(C=CC(=C3O)Br)Br)C(=O)OC(=O)C4=C(C=CC(=C4O)Br)Br)O)Br

Isomeric SMILES

C1=CC(=C(C(=C1Br)C(=O)OC(=O)C2=CC(=CC(=C2)C(=O)OC(=O)C3=C(C=CC(=C3O)Br)Br)C(=O)OC(=O)C4=C(C=CC(=C4O)Br)Br)O)Br

InChI

InChI=1S/C30H12Br6O12/c31-13-1-4-16(34)22(37)19(13)28(43)46-25(40)10-7-11(26(41)47-29(44)20-14(32)2-5-17(35)23(20)38)9-12(8-10)27(42)48-30(45)21-15(33)3-6-18(36)24(21)39/h1-9,37-39H