(1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropyl]carbonylamino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-3-[[[(1S)-2,2-dimethylcyclopropyl]-oxidanidyl-methylidene]amino]phenyl]-2,2-dimethyl-cyclopropane-1-carboximidate; cobalt(2+)

Systemtic Name: (1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropyl]carbonylamino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-3-[[[(1S)-2,2-dimethylcyclopropyl]-oxidanidyl-methylidene]amino]phenyl]-2,2-dimethyl-cyclopropane-1-carboximidate; cobalt(2+) Openeye Name: cobaltous (1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-3-[[[(1S)-2,2-dimethylcyclopropyl]-oxido-methylene]amino]phenyl]-2,2-dimethyl-cyclopropanecarboximidate CAS Name: (1S)-N-[2-[15-[2,6-bis[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-3-[[[(1S)-2,2-dimethylcyclopropyl]-oxidomethylidene]amino]phenyl]-2,2-dimethyl-1-cyclopropanecarboximidate; cobalt(2+) IUPAC Name: (1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,24-dihydroporphyrin-5-yl]-3-[[[(1S)-2,2-dimethylcyclopropyl]-oxidomethylidene]amino]phenyl]-2,2-dimethylcyclopropane-1-carboximidate; cobalt(2+) Traditional Name: cobaltous (1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-21,24-dihydroporphin-5-yl]-3-[[[(1S)-2,2-dimethylcyclopropyl]-oxido-methylene]amino]phenyl]-2,2-dimethyl-cyclopropanecarboximidate Formula: C84H96CoN8O4 MolecularWeight: 1340.64544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC2=C(C(=CC=C2)NC(=O)C3CC3(C)C)C4=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C7C=CC(=C(C8=CC=C4N8)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N7)C1=C(C=CC=C1N=C(C1CC1(C)C)[O-])N=C(C1CC1(C)C)[O-])C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C.[Co+2]

Isomeric SMILES

CC1(C[C@@H]1C(=O)NC2=C(C(=CC=C2)NC(=O)[C@H]3CC3(C)C)C4=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C7C=CC(=C(C8=CC=C4N8)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N7)C1=C(C=CC=C1N=C([C@H]1CC1(C)C)[O-])N=C([C@H]1CC1(C)C)[O-])C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C.[Co+2]

InChI

InChI=1S/C84H98N8O4.Co/c1-77(2,3)47-35-45(36-48(39-47)78(4,5)6)67-59-27-31-63(85-59)71(69-55(89-73(93)51-41-81(51,13)14)23-21-24-56(69)90-74(94)52-42-82(52,15)16)65-33-29-61(87-65)68(46-37-49(79(7,8)9)40-50(38-46)80(10,11)12)62-30-34-66(88-62)72(64-32-28-60(67)86-64)70-57(91-75(95)53-43-83(53,17)18)25-22-26-58(70)92-76(96)54-44-84(54,19)20;/h21-40,51-54,85-86H,41-44H2,1-20H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96);/q;+2/p-2/t51-,52-,53-,54-;/m1./s1