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

Systemtic Name: nickel(2+); (Z,3Z)-1-prop-2-ynoxy-3-(10,15,20-triphenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate Openeye Name: nickelous (Z,3Z)-1-prop-2-ynoxy-3-(10,15,20-triphenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate CAS Name: nickel(2+); (Z,3Z)-1-prop-2-ynoxy-3-(10,15,20-triphenyl-5-porphyrin-22-idylidene)-1-propen-1-olate IUPAC Name: nickel(2+); (Z,3Z)-1-prop-2-ynoxy-3-(10,15,20-triphenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate Traditional Name: nickelous (Z,3Z)-1-propargyloxy-3-(10,15,20-triphenylporphin-22-id-5-ylidene)prop-1-en-1-olate Formula: C44H28N4NiO2 MolecularWeight: 703.41212

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=CC=C1C2=NC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C7=CC=CC=C7)C=C3)C8=CC=CC=C8)C=C2)[O-].[Ni+2]

Isomeric SMILES

C#CCO/C(=C\C=C\1/C2=NC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C7=CC=CC=C7)C=C3)C8=CC=CC=C8)C=C2)/[O-].[Ni+2]

InChI

InChI=1S/C44H29N4O2.Ni/c1-2-28-50-41(49)27-18-32-33-19-21-35(45-33)42(29-12-6-3-7-13-29)37-23-25-39(47-37)44(31-16-10-5-11-17-31)40-26-24-38(48-40)43(30-14-8-4-9-15-30)36-22-20-34(32)46-36;/h1,3-27H,28H2,(H-,45,46,47,48,49);/q-1;+2/p-1