tetrapotassium; palladium(2+); 4-[4-[10,15,20-tris[4-(4-oxidanidyl-4-oxidanylidene-butoxy)phenyl]porphyrin-22,23-diid-5-yl]phenoxy]butanoate

Systemtic Name: tetrapotassium; palladium(2+); 4-[4-[10,15,20-tris[4-(4-oxidanidyl-4-oxidanylidene-butoxy)phenyl]porphyrin-22,23-diid-5-yl]phenoxy]butanoate Openeye Name: tetrapotassium; palladium(2+); 4-[4-[10,15,20-tris[4-(4-oxido-4-oxo-butoxy)phenyl]porphyrin-22,23-diid-5-yl]phenoxy]butanoate CAS Name: tetrapotassium; palladium(2+); 4-[4-[10,15,20-tris[4-(4-oxido-4-oxobutoxy)phenyl]-5-porphyrin-22,23-diidyl]phenoxy]butanoate IUPAC Name: tetrapotassium; palladium(2+); 4-[4-[10,15,20-tris[4-(4-oxido-4-oxobutoxy)phenyl]porphyrin-22,23-diid-5-yl]phenoxy]butanoate Traditional Name: tetrapotassium; palladium(2+); 4-[4-[10,15,20-tris[4-(4-keto-4-oxido-butoxy)phenyl]porphine-22,23-diid-5-yl]phenoxy]butyrate Formula: C60H48K4N4O12Pd MolecularWeight: 1279.85592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCCCC(=O)[O-])C8=CC=C(C=C8)OCCCC(=O)[O-])C9=CC=C(C=C9)OCCCC(=O)[O-])[N-]3)OCCCC(=O)[O-].[K+].[K+].[K+].[K+].[Pd+2]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCCCC(=O)[O-])C8=CC=C(C=C8)OCCCC(=O)[O-])C9=CC=C(C=C9)OCCCC(=O)[O-])[N-]3)OCCCC(=O)[O-].[K+].[K+].[K+].[K+].[Pd+2]

InChI

InChI=1S/C60H54N4O12.4K.Pd/c65-53(66)5-1-33-73-41-17-9-37(10-18-41)57-45-25-27-47(61-45)58(38-11-19-42(20-12-38)74-34-2-6-54(67)68)49-29-31-51(63-49)60(40-15-23-44(24-16-40)76-36-4-8-56(71)72)52-32-30-50(64-52)59(48-28-26-46(57)62-48)39-13-21-43(22-14-39)75-35-3-7-55(69)70;;;;;/h9-32H,1-8,33-36H2,(H6,61,62,63,64,65,66,67,68,69,70,71,72);;;;;/q;4*+1;+2/p-6