copper 3,3-dipentoxy-5,10,15,20-tetraphenyl-porphyrin-24-id-2-olate

Systemtic Name: copper 3,3-dipentoxy-5,10,15,20-tetraphenyl-porphyrin-24-id-2-olate Openeye Name: copper 3,3-dipentoxy-5,10,15,20-tetraphenyl-porphyrin-24-id-2-olate CAS Name: copper 3,3-dipentoxy-5,10,15,20-tetraphenyl-2-porphyrin-24-idolate IUPAC Name: copper 3,3-dipentoxy-5,10,15,20-tetraphenylporphyrin-24-id-2-olate Traditional Name: cupric 3,3-diamoxy-5,10,15,20-tetraphenyl-porphin-24-id-2-olate Formula: C54H48CuN4O3 MolecularWeight: 864.52992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1(C(=C2C(=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C1=N2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)C=C4)C8=CC=CC=C8)[N-]3)C9=CC=CC=C9)[O-])OCCCCC.[Cu+2]

Isomeric SMILES

CCCCCOC1(C(=C2C(=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C1=N2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)C=C4)C8=CC=CC=C8)[N-]3)C9=CC=CC=C9)[O-])OCCCCC.[Cu+2]

InChI

InChI=1S/C54H49N4O3.Cu/c1-3-5-19-35-60-54(61-36-20-6-4-2)52-50(40-27-17-10-18-28-40)46-34-32-44(57-46)48(38-23-13-8-14-24-38)42-30-29-41(55-42)47(37-21-11-7-12-22-37)43-31-33-45(56-43)49(51(58-52)53(54)59)39-25-15-9-16-26-39;/h7-18,21-34H,3-6,19-20,35-36H2,1-2H3,(H-,55,56,57,58,59);/q-1;+2/p-1