10-(1,3-dithian-2-yl)-5,15-diphenyl-porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 10-(1,3-dithian-2-yl)-5,15-diphenyl-porphyrin-22,23-diide; nickel(2+) Openeye Name: nickelous 10-(1,3-dithian-2-yl)-5,15-diphenyl-porphyrin-22,23-diide CAS Name: 10-(1,3-dithian-2-yl)-5,15-diphenylporphyrin-22,23-diide; nickel(2+) IUPAC Name: 10-(1,3-dithian-2-yl)-5,15-diphenylporphyrin-22,23-diide; nickel(2+) Traditional Name: nickelous 10-(1,3-dithian-2-yl)-5,15-diphenyl-porphine-22,23-diide Formula: C36H26N4NiS2 MolecularWeight: 637.44184

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

Isomeric SMILES

C1CSC(SC1)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

InChI

InChI=1S/C36H26N4S2.Ni/c1-3-8-23(9-4-1)33-27-14-12-25(37-27)22-26-13-15-28(38-26)34(24-10-5-2-6-11-24)30-17-19-32(40-30)35(31-18-16-29(33)39-31)36-41-20-7-21-42-36;/h1-6,8-19,22,36H,7,20-21H2;/q-2;+2