1-(10,20-diphenylporphyrin-21,22-diid-5-yl)propan-1-ol; nickel(2+)

Systemtic Name: 1-(10,20-diphenylporphyrin-21,22-diid-5-yl)propan-1-ol; nickel(2+) Openeye Name: nickelous 1-(10,20-diphenylporphyrin-21,22-diid-5-yl)propan-1-ol CAS Name: 1-(10,20-diphenyl-5-porphyrin-21,22-diidyl)-1-propanol; nickel(2+) IUPAC Name: 1-(10,20-diphenylporphyrin-21,22-diid-5-yl)propan-1-ol; nickel(2+) Traditional Name: nickelous 1-(10,20-diphenylporphine-21,22-diid-5-yl)propan-1-ol Formula: C35H26N4NiO MolecularWeight: 577.30054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C2C=CC(=C(C3=NC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C=C3)C7=CC=CC=C7)[N-]2)O.[Ni+2]

Isomeric SMILES

CCC(C1=C2C=CC(=C(C3=NC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C=C3)C7=CC=CC=C7)[N-]2)O.[Ni+2]

InChI

InChI=1S/C35H26N4O.Ni/c1-2-32(40)35-30-19-17-28(38-30)33(22-9-5-3-6-10-22)26-15-13-24(36-26)21-25-14-16-27(37-25)34(23-11-7-4-8-12-23)29-18-20-31(35)39-29;/h3-21,32,40H,2H2,1H3;/q-2;+2