(Z)-(15-methanoyl-10,20-diphenyl-porphyrin-22-id-5-ylidene)methanolate; nickel(2+)

Systemtic Name: (Z)-(15-methanoyl-10,20-diphenyl-porphyrin-22-id-5-ylidene)methanolate; nickel(2+) Openeye Name: nickelous (Z)-(15-formyl-10,20-diphenyl-porphyrin-22-id-5-ylidene)methanolate CAS Name: (Z)-(15-formyl-10,20-diphenyl-5-porphyrin-22-idylidene)methanolate; nickel(2+) IUPAC Name: (Z)-(15-formyl-10,20-diphenylporphyrin-22-id-5-ylidene)methanolate; nickel(2+) Traditional Name: nickelous (Z)-(15-formyl-10,20-diphenyl-porphin-22-id-5-ylidene)methanolate Formula: C34H20N4NiO2 MolecularWeight: 575.2416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C[O-])C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C=O)C7=CC=CC=C7.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)/C(=C\[O-])/C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C=O)C7=CC=CC=C7.[Ni+2]

InChI

InChI=1S/C34H22N4O2.Ni/c39-19-23-25-11-15-29(35-25)33(21-7-3-1-4-8-21)30-16-12-26(36-30)24(20-40)28-14-18-32(38-28)34(22-9-5-2-6-10-22)31-17-13-27(23)37-31;/h1-20H,(H2,35,36,37,38,39,40);/q;+2/p-2