copper dipotassium 8-[15-(8-carboxylatonaphthalen-1-yl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]naphthalene-1-carboxylate

Systemtic Name: copper dipotassium 8-[15-(8-carboxylatonaphthalen-1-yl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]naphthalene-1-carboxylate Openeye Name: copper dipotassium 8-[15-(8-carboxylato-1-naphthyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]naphthalene-1-carboxylate CAS Name: copper dipotassium 8-[15-(8-carboxylato-1-naphthalenyl)-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22,23-diidyl]-1-naphthalenecarboxylate IUPAC Name: copper dipotassium 8-[15-(8-carboxylatonaphthalen-1-yl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]naphthalene-1-carboxylate Traditional Name: cupric dipotassium 8-[15-(8-carboxylato-1-naphthyl)-10,20-dimesityl-porphine-22,23-diid-5-yl]-1-naphthoate Formula: C60H42CuK2N4O4 MolecularWeight: 1024.74248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC8=C7C(=CC=C8)C(=O)[O-])C=C5)C9=C(C=C(C=C9C)C)C)C=C4)C1=CC=CC2=C1C(=CC=C2)C(=O)[O-])[N-]3)C.[K+].[K+].[Cu+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC8=C7C(=CC=C8)C(=O)[O-])C=C5)C9=C(C=C(C=C9C)C)C)C=C4)C1=CC=CC2=C1C(=CC=C2)C(=O)[O-])[N-]3)C.[K+].[K+].[Cu+2]

InChI

InChI=1S/C60H46N4O4.Cu.2K/c1-31-27-33(3)51(34(4)28-31)57-47-23-19-43(61-47)55(39-15-7-11-37-13-9-17-41(53(37)39)59(65)66)45-21-25-49(63-45)58(52-35(5)29-32(2)30-36(52)6)50-26-22-46(64-50)56(44-20-24-48(57)62-44)40-16-8-12-38-14-10-18-42(54(38)40)60(67)68;;;/h7-30H,1-6H3,(H4,61,62,63,64,65,66,67,68);;;/q;+2;2*+1/p-4