5,15-dihexyl-10,20-bis(prop-2-enyl)porphyrin-21,22-diide; nickel(2+)

Systemtic Name: 5,15-dihexyl-10,20-bis(prop-2-enyl)porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5,15-diallyl-10,20-dihexyl-porphyrin-22,23-diide CAS Name: 5,15-dihexyl-10,20-bis(prop-2-enyl)porphyrin-21,22-diide; nickel(2+) IUPAC Name: 5,15-dihexyl-10,20-bis(prop-2-enyl)porphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5,15-diallyl-10,20-dihexyl-porphine-22,23-diide Formula: C38H44N4Ni MolecularWeight: 615.47616

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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)CC=C)C=C4)CCCCCC)C=C3)CC=C)[N-]2.[Ni+2]

Isomeric SMILES

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

InChI

InChI=1S/C38H44N4.Ni/c1-5-9-11-13-17-29-35-23-19-31(39-35)27(15-7-3)33-21-25-37(41-33)30(18-14-12-10-6-2)38-26-22-34(42-38)28(16-8-4)32-20-24-36(29)40-32;/h7-8,19-26H,3-6,9-18H2,1-2H3;/q-2;+2