cobalt(2+); N-(3-methyl-1-oxidanyl-butan-2-yl)-2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)benzenecarboximidate

Systemtic Name: cobalt(2+); N-(3-methyl-1-oxidanyl-butan-2-yl)-2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)benzenecarboximidate Openeye Name: cobaltous N-[1-(hydroxymethyl)-2-methyl-propyl]-2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)benzenecarboximidate CAS Name: cobalt(2+); N-(1-hydroxy-3-methylbutan-2-yl)-2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)benzenecarboximidate IUPAC Name: cobalt(2+); N-(1-hydroxy-3-methylbutan-2-yl)-2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)benzenecarboximidate Traditional Name: cobaltous N-(2-methyl-1-methylol-propyl)-2-(10,15,20-triphenyl-23H-porphin-21-id-5-yl)benzenecarboximidate Formula: C50H39CoN5O2 MolecularWeight: 800.81016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)N=C(C1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3)[O-].[Co+2]

Isomeric SMILES

CC(C)C(CO)N=C(C1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3)[O-].[Co+2]

InChI

InChI=1S/C50H40N5O2.Co/c1-31(2)45(30-56)55-50(57)36-21-13-12-20-35(36)49-43-28-26-41(53-43)47(33-16-8-4-9-17-33)39-24-22-37(51-39)46(32-14-6-3-7-15-32)38-23-25-40(52-38)48(34-18-10-5-11-19-34)42-27-29-44(49)54-42;/h3-29,31,45,56H,30H2,1-2H3,(H2-,51,52,53,54,55,57);/q-1;+2/p-1