nickel(2+); (E,3Z)-1-piperidin-1-yl-3-(10,15,20-triphenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate

Systemtic Name: nickel(2+); (E,3Z)-1-piperidin-1-yl-3-(10,15,20-triphenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate Openeye Name: nickelous (E,3Z)-1-(1-piperidyl)-3-(10,15,20-triphenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate CAS Name: nickel(2+); (E,3Z)-1-(1-piperidinyl)-3-(10,15,20-triphenyl-5-porphyrin-22-idylidene)-1-propen-1-olate IUPAC Name: nickel(2+); (E,3Z)-1-piperidin-1-yl-3-(10,15,20-triphenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate Traditional Name: nickelous (E,3Z)-1-piperidino-3-(10,15,20-triphenylporphin-22-id-5-ylidene)prop-1-en-1-olate Formula: C46H35N5NiO MolecularWeight: 732.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=CC=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)C=C3)[O-].[Ni+2]

Isomeric SMILES

C1CCN(CC1)/C(=C\C=C\2/C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)C=C3)/[O-].[Ni+2]

InChI

InChI=1S/C46H36N5O.Ni/c52-43(51-29-11-4-12-30-51)28-19-34-35-20-22-37(47-35)44(31-13-5-1-6-14-31)39-24-26-41(49-39)46(33-17-9-3-10-18-33)42-27-25-40(50-42)45(32-15-7-2-8-16-32)38-23-21-36(34)48-38;/h1-3,5-10,13-28H,4,11-12,29-30H2,(H-,47,48,49,50,52);/q-1;+2/p-1