copper (E)-[15-[2-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethyl]-10,20-diphenyl-porphyrin-24-id-5-ylidene]methanolate

Systemtic Name: copper (E)-[15-[2-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethyl]-10,20-diphenyl-porphyrin-24-id-5-ylidene]methanolate Openeye Name: copper (E)-[15-(2-chloro-1,1,2,2-tetrafluoro-ethyl)-10,20-diphenyl-porphyrin-24-id-5-ylidene]methanolate CAS Name: copper (E)-[15-(2-chloro-1,1,2,2-tetrafluoroethyl)-10,20-diphenyl-5-porphyrin-24-idylidene]methanolate IUPAC Name: copper (E)-[15-(2-chloro-1,1,2,2-tetrafluoroethyl)-10,20-diphenylporphyrin-24-id-5-ylidene]methanolate Traditional Name: cupric (E)-[15-(2-chloro-1,1,2,2-tetrafluoro-ethyl)-10,20-diphenyl-porphin-24-id-5-ylidene]methanolate Formula: C35H19ClCuF4N4O MolecularWeight: 686.544173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C[O-])C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C(C(F)(F)Cl)(F)F)C7=CC=CC=C7)C=C4.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)/C(=C/[O-])/C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C(C(F)(F)Cl)(F)F)C7=CC=CC=C7)C=C4.[Cu+2]

InChI

InChI=1S/C35H20ClF4N4O.Cu/c36-35(39,40)34(37,38)33-29-17-15-27(43-29)31(20-7-3-1-4-8-20)25-13-11-23(41-25)22(19-45)24-12-14-26(42-24)32(21-9-5-2-6-10-21)28-16-18-30(33)44-28;/h1-19H,(H-,41,42,43,44,45);/q-1;+2/p-1