copper; 2,3,7,8,12,13,17,18-octakis(bromanyl)-5,10,15-triphenyl-corrin-21,22,24-triide

Systemtic Name: copper; 2,3,7,8,12,13,17,18-octakis(bromanyl)-5,10,15-triphenyl-corrin-21,22,24-triide Openeye Name: copper; 2,3,7,8,12,13,17,18-octabromo-5,10,15-triphenyl-corrin-21,22,24-triide CAS Name: copper; 2,3,7,8,12,13,17,18-octabromo-5,10,15-triphenylcorrin-21,22,24-triide IUPAC Name: copper; 2,3,7,8,12,13,17,18-octabromo-5,10,15-triphenylcorrin-21,22,24-triide Traditional Name: copper; 2,3,7,8,12,13,17,18-octabromo-5,10,15-triphenyl-corrin-21,22,24-triide Formula: C37H15Br8CuN4-3 MolecularWeight: 1218.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C(C(=C(C4=NC(=C(C5=C(C(=C([N-]5)C6=C(C(=C2[N-]6)Br)Br)Br)Br)C7=CC=CC=C7)C(=C4Br)Br)C8=CC=CC=C8)[N-]3)Br)Br.[Cu]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C(C(=C(C4=NC(=C(C5=C(C(=C([N-]5)C6=C(C(=C2[N-]6)Br)Br)Br)Br)C7=CC=CC=C7)C(=C4Br)Br)C8=CC=CC=C8)[N-]3)Br)Br.[Cu]

InChI

InChI=1S/C37H15Br8N4.Cu/c38-22-24(40)32-20(17-12-6-2-7-13-17)34-26(42)28(44)36(48-34)37-29(45)27(43)35(49-37)21(18-14-8-3-9-15-18)33-25(41)23(39)31(47-33)19(30(22)46-32)16-10-4-1-5-11-16;/h1-15H;/q-3;