dioxidanium; bismuth(2+); 4,4-bis(oxidanyl)-N-[2-[10,15,20-tris(2-acetamidophenyl)porphyrin-22,24-diid-5-yl]phenyl]butanamide

Systemtic Name: dioxidanium; bismuth(2+); 4,4-bis(oxidanyl)-N-[2-[10,15,20-tris(2-acetamidophenyl)porphyrin-22,24-diid-5-yl]phenyl]butanamide Openeye Name: dioxonium; bismuth(2+); 4,4-dihydroxy-N-[2-[10,15,20-tris(2-acetamidophenyl)porphyrin-22,24-diid-5-yl]phenyl]butanamide CAS Name: dioxonium; bismuth(2+); 4,4-dihydroxy-N-[2-[10,15,20-tris(2-acetamidophenyl)-5-porphyrin-22,24-diidyl]phenyl]butanamide IUPAC Name: dioxidanium; bismuth(2+); 4,4-dihydroxy-N-[2-[10,15,20-tris(2-acetamidophenyl)porphyrin-22,24-diid-5-yl]phenyl]butanamide Traditional Name: dioxonium; bismuth(2+); 4,4-dihydroxy-N-[2-[10,15,20-tris(2-acetamidophenyl)porphine-22,24-diid-5-yl]phenyl]butyramide Formula: C54H50BiN8O8+2 MolecularWeight: 1148.00398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7NC(=O)C)C8=CC=CC=C8NC(=O)CCC(O)O)C=C4)C9=CC=CC=C9NC(=O)C)[N-]3.[OH3+].[OH3+].[Bi+2]

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7NC(=O)C)C8=CC=CC=C8NC(=O)CCC(O)O)C=C4)C9=CC=CC=C9NC(=O)C)[N-]3.[OH3+].[OH3+].[Bi+2]

InChI

InChI=1S/C54H46N8O6.Bi.2H2O/c1-30(63)55-37-16-8-4-12-33(37)51-41-20-22-43(58-41)52(34-13-5-9-17-38(34)56-31(2)64)45-24-26-47(60-45)54(36-15-7-11-19-40(36)62-49(66)28-29-50(67)68)48-27-25-46(61-48)53(44-23-21-42(51)59-44)35-14-6-10-18-39(35)57-32(3)65;;;/h4-27,50,67-68H,28-29H2,1-3H3,(H6,55,56,57,58,59,60,61,62,63,64,65,66);;2*1H2/q;+2;;