chloranylcobalt(2+); 21-methyl-5,10,15,20-tetraphenyl-porphyrin-23-ide

Systemtic Name: chloranylcobalt(2+); 21-methyl-5,10,15,20-tetraphenyl-porphyrin-23-ide Openeye Name: chlorocobalt(2+); 21-methyl-5,10,15,20-tetraphenyl-porphyrin-23-ide CAS Name: chlorocobalt(2+); 21-methyl-5,10,15,20-tetraphenylporphyrin-23-ide IUPAC Name: chlorocobalt(2+); 21-methyl-5,10,15,20-tetraphenylporphyrin-23-ide Traditional Name: chlorocobalt(2+); 21-methyl-5,10,15,20-tetraphenyl-porphin-23-ide Formula: C45H31ClCoN4+ MolecularWeight: 722.14064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.Cl[Co+2]

Isomeric SMILES

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.Cl[Co+2]

InChI

InChI=1S/C45H31N4.ClH.Co/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32;;/h2-29H,1H3;1H;/q-1;;+3/p-1