5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-23,24-dihydro-22H-corrin-2,3,17-tricarbaldehyde

Systemtic Name: 5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-23,24-dihydro-22H-corrin-2,3,17-tricarbaldehyde Openeye Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-2,3,17-tricarbaldehyde CAS Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-2,3,17-tricarboxaldehyde IUPAC Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-2,3,17-tricarbaldehyde Traditional Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-2,3,17-tricarbaldehyde Formula: C40H11F15N4O3 MolecularWeight: 880.516388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=C(N3)C4=NC(=C(C5=CC=C(N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=C4C=O)C=O)C=O)C8=C(C(=C(C(=C8F)F)F)F)F

Isomeric SMILES

C1=CC2=C(C3=C(C=C(N3)C4=NC(=C(C5=CC=C(N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=C4C=O)C=O)C=O)C8=C(C(=C(C(=C8F)F)F)F)F

InChI

InChI=1S/C40H11F15N4O3/c41-23-20(24(42)30(48)35(53)29(23)47)17-12-1-3-14(56-12)18(21-25(43)31(49)36(54)32(50)26(21)44)38-9(6-60)5-16(58-38)39-10(7-61)11(8-62)40(59-39)19(15-4-2-13(17)57-15)22-27(45)33(51)37(55)34(52)28(22)46/h1-8,56-58H