bis[2,4,5-tris(bromanyl)-3-hexadecyl-6-phenoxycarbonyl-phenyl] ethanedioate

Systemtic Name: bis[2,4,5-tris(bromanyl)-3-hexadecyl-6-phenoxycarbonyl-phenyl] ethanedioate Openeye Name: bis(2,4,5-tribromo-3-hexadecyl-6-phenoxycarbonyl-phenyl) oxalate CAS Name: oxalic acid bis[2,4,5-tribromo-3-hexadecyl-6-[oxo(phenoxy)methyl]phenyl] ester IUPAC Name: bis(2,4,5-tribromo-3-hexadecyl-6-phenoxycarbonylphenyl) oxalate Traditional Name: oxalic acid bis(2,4,5-tribromo-6-carbophenoxy-3-cetyl-phenyl) ester Formula: C60H76Br6O8 MolecularWeight: 1404.66464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1Br)Br)C(=O)OC2=CC=CC=C2)OC(=O)C(=O)OC3=C(C(=C(C(=C3Br)CCCCCCCCCCCCCCCC)Br)Br)C(=O)OC4=CC=CC=C4)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1Br)Br)C(=O)OC2=CC=CC=C2)OC(=O)C(=O)OC3=C(C(=C(C(=C3Br)CCCCCCCCCCCCCCCC)Br)Br)C(=O)OC4=CC=CC=C4)Br

InChI

InChI=1S/C60H76Br6O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35-41-45-49(61)53(65)47(57(67)71-43-37-31-29-32-38-43)55(51(45)63)73-59(69)60(70)74-56-48(58(68)72-44-39-33-30-34-40-44)54(66)50(62)46(52(56)64)42-36-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-34,37-40H,3-28,35-36,41-42H2,1-2H3