5-ethynyl-10,15,20-trihexyl-porphyrin-23,24-diide; nickel(2+)

Systemtic Name: 5-ethynyl-10,15,20-trihexyl-porphyrin-23,24-diide; nickel(2+) Openeye Name: nickelous 5-ethynyl-10,15,20-trihexyl-porphyrin-23,24-diide CAS Name: 5-ethynyl-10,15,20-trihexylporphyrin-23,24-diide; nickel(2+) IUPAC Name: 5-ethynyl-10,15,20-trihexylporphyrin-23,24-diide; nickel(2+) Traditional Name: nickelous 5-ethynyl-10,15,20-trihexyl-porphine-23,24-diide Formula: C40H48N4Ni MolecularWeight: 643.52932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C#C)CCCCCC)CCCCCC)[N-]2.[Ni+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C#C)CCCCCC)CCCCCC)[N-]2.[Ni+2]

InChI

InChI=1S/C40H48N4.Ni/c1-5-9-12-15-18-30-35-23-21-33(41-35)29(8-4)34-22-24-36(42-34)31(19-16-13-10-6-2)38-26-28-40(44-38)32(20-17-14-11-7-3)39-27-25-37(30)43-39;/h4,21-28H,5-7,9-20H2,1-3H3;/q-2;+2