(Z)-(15-bromanyl-10,20-diphenyl-porphyrin-24-id-5-ylidene)methanolate; nickel(2+)

Systemtic Name: (Z)-(15-bromanyl-10,20-diphenyl-porphyrin-24-id-5-ylidene)methanolate; nickel(2+) Openeye Name: nickelous (Z)-(15-bromo-10,20-diphenyl-porphyrin-24-id-5-ylidene)methanolate CAS Name: (Z)-(15-bromo-10,20-diphenyl-5-porphyrin-24-idylidene)methanolate; nickel(2+) IUPAC Name: (Z)-(15-bromo-10,20-diphenylporphyrin-24-id-5-ylidene)methanolate; nickel(2+) Traditional Name: nickelous (Z)-(15-bromo-10,20-diphenyl-porphin-24-id-5-ylidene)methanolate Formula: C33H19BrN4NiO MolecularWeight: 626.12756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C[O-])C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)C=C4.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)/C(=C\[O-])/C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)C=C4.[Ni+2]

InChI

InChI=1S/C33H20BrN4O.Ni/c34-33-29-17-15-27(37-29)31(20-7-3-1-4-8-20)25-13-11-23(35-25)22(19-39)24-12-14-26(36-24)32(21-9-5-2-6-10-21)28-16-18-30(33)38-28;/h1-19H,(H-,35,36,37,38,39);/q-1;+2/p-1