tris[2,4-bis(bromanyl)-6-methyl-phenyl] propane-1,2,3-tricarboxylate

Systemtic Name: tris[2,4-bis(bromanyl)-6-methyl-phenyl] propane-1,2,3-tricarboxylate Openeye Name: tris(2,4-dibromo-6-methyl-phenyl) propane-1,2,3-tricarboxylate CAS Name: propane-1,2,3-tricarboxylic acid tris(2,4-dibromo-6-methylphenyl) ester IUPAC Name: tris(2,4-dibromo-6-methylphenyl) propane-1,2,3-tricarboxylate Traditional Name: propane-1,2,3-tricarboxylic acid tris(2,4-dibromo-6-methyl-phenyl) ester Formula: C27H20Br6O6 MolecularWeight: 919.8681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CC(CC(=O)OC2=C(C=C(C=C2C)Br)Br)C(=O)OC3=C(C=C(C=C3C)Br)Br)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CC(CC(=O)OC2=C(C=C(C=C2C)Br)Br)C(=O)OC3=C(C=C(C=C3C)Br)Br)Br)Br

InChI

InChI=1S/C27H20Br6O6/c1-12-4-16(28)9-19(31)24(12)37-22(34)7-15(27(36)39-26-14(3)6-18(30)11-21(26)33)8-23(35)38-25-13(2)5-17(29)10-20(25)32/h4-6,9-11,15H,7-8H2,1-3H3