5,15-bis(bromanyl)-10,20-dihexyl-porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 5,15-bis(bromanyl)-10,20-dihexyl-porphyrin-22,23-diide; nickel(2+) Openeye Name: nickelous 5,15-dibromo-10,20-dihexyl-porphyrin-22,23-diide CAS Name: 5,15-dibromo-10,20-dihexylporphyrin-22,23-diide; nickel(2+) IUPAC Name: 5,15-dibromo-10,20-dihexylporphyrin-22,23-diide; nickel(2+) Traditional Name: nickelous 5,15-dibromo-10,20-dihexyl-porphine-22,23-diide Formula: C32H34Br2N4Ni MolecularWeight: 693.14056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)Br)C=C4)CCCCCC)C=C3)Br)[N-]2.[Ni+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)Br)C=C4)CCCCCC)C=C3)Br)[N-]2.[Ni+2]

InChI

InChI=1S/C32H34Br2N4.Ni/c1-3-5-7-9-11-21-23-13-17-27(35-23)31(33)29-19-15-25(37-29)22(12-10-8-6-4-2)26-16-20-30(38-26)32(34)28-18-14-24(21)36-28;/h13-20H,3-12H2,1-2H3;/q-2;+2