N-(2-diethylaminoethyl)-4-[10,15,20-tris[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]benzenesulfonamide; oxygen(2-); vanadium(4+)

Systemtic Name: N-(2-diethylaminoethyl)-4-[10,15,20-tris[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]benzenesulfonamide; oxygen(2-); vanadium(4+) Openeye Name: N-(2-diethylaminoethyl)-4-[10,15,20-tris[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]benzenesulfonamide; oxygen(2-); vanadium(4+) CAS Name: N-(2-diethylaminoethyl)-4-[10,15,20-tris[4-(2-diethylaminoethylsulfamoyl)phenyl]-5-porphyrin-22,23-diidyl]benzenesulfonamide; oxygen(2-); vanadium(4+) IUPAC Name: N-(2-diethylaminoethyl)-4-[10,15,20-tris[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]benzenesulfonamide; oxygen(2-); vanadium(4+) Traditional Name: N-(2-diethylaminoethyl)-4-[10,15,20-tris[4-(2-diethylaminoethylsulfamoyl)phenyl]porphine-22,23-diid-5-yl]benzenesulfonamide; oxygen(2-); vanadium(4+) Formula: C68H84N12O9S4V MolecularWeight: 1392.67106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)NCCN(CC)CC)C8=CC=C(C=C8)S(=O)(=O)NCCN(CC)CC)C9=CC=C(C=C9)S(=O)(=O)NCCN(CC)CC)[N-]3.[O-2].[V+4]

Isomeric SMILES

CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)NCCN(CC)CC)C8=CC=C(C=C8)S(=O)(=O)NCCN(CC)CC)C9=CC=C(C=C9)S(=O)(=O)NCCN(CC)CC)[N-]3.[O-2].[V+4]

InChI

InChI=1S/C68H84N12O8S4.O.V/c1-9-77(10-2)45-41-69-89(81,82)53-25-17-49(18-26-53)65-57-33-35-59(73-57)66(50-19-27-54(28-20-50)90(83,84)70-42-46-78(11-3)12-4)61-37-39-63(75-61)68(52-23-31-56(32-24-52)92(87,88)72-44-48-80(15-7)16-8)64-40-38-62(76-64)67(60-36-34-58(65)74-60)51-21-29-55(30-22-51)91(85,86)71-43-47-79(13-5)14-6;;/h17-40,69-72H,9-16,41-48H2,1-8H3;;/q2*-2;+4