5-[2-[10,15-bis[2,6-bis(chloranyl)phenyl]-20-[3,5-bis(chloranyl)phenyl]porphyrin-22,23-diid-5-yl]-3-chloranyl-phenoxy]-2-methyl-2-phenyl-pentanoate; manganese(3+)

Systemtic Name: 5-[2-[10,15-bis[2,6-bis(chloranyl)phenyl]-20-[3,5-bis(chloranyl)phenyl]porphyrin-22,23-diid-5-yl]-3-chloranyl-phenoxy]-2-methyl-2-phenyl-pentanoate; manganese(3+) Openeye Name: manganic 5-[2-[10,15-bis(2,6-dichlorophenyl)-20-(3,5-dichlorophenyl)porphyrin-22,23-diid-5-yl]-3-chloro-phenoxy]-2-methyl-2-phenyl-pentanoate CAS Name: 5-[2-[10,15-bis(2,6-dichlorophenyl)-20-(3,5-dichlorophenyl)-5-porphyrin-22,23-diidyl]-3-chlorophenoxy]-2-methyl-2-phenylpentanoate; manganese(3+) IUPAC Name: 5-[2-[10,15-bis(2,6-dichlorophenyl)-20-(3,5-dichlorophenyl)porphyrin-22,23-diid-5-yl]-3-chlorophenoxy]-2-methyl-2-phenylpentanoate; manganese(3+) Traditional Name: manganic 5-[2-[10,15-bis(2,6-dichlorophenyl)-20-(3,5-dichlorophenyl)porphine-22,23-diid-5-yl]-3-chloro-phenoxy]-2-methyl-2-phenyl-valerate Formula: C56H34Cl7MnN4O3 MolecularWeight: 1114.003209

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC1=C(C(=CC=C1)Cl)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)Cl)Cl)C8=C(C=CC=C8Cl)Cl)C9=C(C=CC=C9Cl)Cl)[N-]3)(C1=CC=CC=C1)C(=O)[O-].[Mn+3]

Isomeric SMILES

CC(CCCOC1=C(C(=CC=C1)Cl)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)Cl)Cl)C8=C(C=CC=C8Cl)Cl)C9=C(C=CC=C9Cl)Cl)[N-]3)(C1=CC=CC=C1)C(=O)[O-].[Mn+3]

InChI

InChI=1S/C56H36Cl7N4O3.Mn/c1-56(55(68)69,31-9-3-2-4-10-31)25-8-26-70-47-16-7-15-38(63)51(47)54-45-20-18-40(65-45)48(30-27-32(57)29-33(58)28-30)39-17-19-41(64-39)52(49-34(59)11-5-12-35(49)60)42-21-22-43(66-42)53(44-23-24-46(54)67-44)50-36(61)13-6-14-37(50)62;/h2-7,9-24,27-29H,8,25-26H2,1H3,(H2-,64,65,66,67,68,69);/q-1;+3/p-2