magnesium 5,10,15,20-tetra(tridecan-7-yl)porphyrin-22,24-diide

Systemtic Name: magnesium 5,10,15,20-tetra(tridecan-7-yl)porphyrin-22,24-diide Openeye Name: magnesium 5,10,15,20-tetrakis(1-hexylheptyl)porphyrin-22,24-diide CAS Name: magnesium 5,10,15,20-tetra(tridecan-7-yl)porphyrin-22,24-diide IUPAC Name: magnesium 5,10,15,20-tetra(tridecan-7-yl)porphyrin-22,24-diide Traditional Name: magnesium 5,10,15,20-tetrakis(1-hexylheptyl)porphine-22,24-diide Formula: C72H116MgN4 MolecularWeight: 1062.02324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C=C3)C(CCCCCC)CCCCCC)[N-]2.[Mg+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C=C3)C(CCCCCC)CCCCCC)[N-]2.[Mg+2]

InChI

InChI=1S/C72H116N4.Mg/c1-9-17-25-33-41-57(42-34-26-18-10-2)69-61-49-51-63(73-61)70(58(43-35-27-19-11-3)44-36-28-20-12-4)65-53-55-67(75-65)72(60(47-39-31-23-15-7)48-40-32-24-16-8)68-56-54-66(76-68)71(64-52-50-62(69)74-64)59(45-37-29-21-13-5)46-38-30-22-14-6;/h49-60H,9-48H2,1-8H3;/q-2;+2