4-[10,20-bis[(2Z,4E)-4-(2-diethylaminoethylsulfamoyl)hepta-2,4,6-trienyl]-15-[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]-N-(2-diethylaminoethyl)benzenesulfonamide; oxidanylidenevanadium(2+)

Systemtic Name: 4-[10,20-bis[(2Z,4E)-4-(2-diethylaminoethylsulfamoyl)hepta-2,4,6-trienyl]-15-[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]-N-(2-diethylaminoethyl)benzenesulfonamide; oxidanylidenevanadium(2+) Openeye Name: 4-[10,20-bis[(2Z,4E)-4-(2-diethylaminoethylsulfamoyl)hepta-2,4,6-trienyl]-15-[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]-N-(2-diethylaminoethyl)benzenesulfonamide; oxovanadium(2+) CAS Name: 4-[10,20-bis[(2Z,4E)-4-(2-diethylaminoethylsulfamoyl)hepta-2,4,6-trienyl]-15-[4-(2-diethylaminoethylsulfamoyl)phenyl]-5-porphyrin-22,23-diidyl]-N-(2-diethylaminoethyl)benzenesulfonamide; oxovanadium(2+) IUPAC Name: 4-[10,20-bis[(2Z,4E)-4-(2-diethylaminoethylsulfamoyl)hepta-2,4,6-trienyl]-15-[4-(2-diethylaminoethylsulfamoyl)phenyl]porphyrin-22,23-diid-5-yl]-N-(2-diethylaminoethyl)benzenesulfonamide; oxovanadium(2+) Traditional Name: 4-[10,20-bis[(2Z,4E)-4-(2-diethylaminoethylsulfamoyl)hepta-2,4,6-trienyl]-15-[4-(2-diethylaminoethylsulfamoyl)phenyl]porphine-22,23-diid-5-yl]-N-(2-diethylaminoethyl)benzenesulfonamide; ketovanadium(2+) Formula: C70H92N12O9S4V MolecularWeight: 1424.75598

Click to see the large picture

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)CC=CC(=CC=C)S(=O)(=O)NCCN(CC)CC)C7=CC=C(C=C7)S(=O)(=O)NCCN(CC)CC)CC=CC(=CC=C)S(=O)(=O)NCCN(CC)CC)[N-]3.O=[V+2]

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)C/C=C\C(=C/C=C)\S(=O)(=O)NCCN(CC)CC)C7=CC=C(C=C7)S(=O)(=O)NCCN(CC)CC)C/C=C\C(=C/C=C)\S(=O)(=O)NCCN(CC)CC)[N-]3.O=[V+2]

InChI

InChI=1S/C70H92N12O8S4.O.V/c1-11-23-55(91(83,84)71-45-49-79(13-3)14-4)25-21-27-59-61-37-41-65(75-61)69(53-29-33-57(34-30-53)93(87,88)73-47-51-81(17-7)18-8)67-43-39-63(77-67)60(28-22-26-56(24-12-2)92(85,86)72-46-50-80(15-5)16-6)64-40-44-68(78-64)70(66-42-38-62(59)76-66)54-31-35-58(36-32-54)94(89,90)74-48-52-82(19-9)20-10;;/h11-12,21-26,29-44,71-74H,1-2,13-20,27-28,45-52H2,3-10H3;;/q-2;;+2/b25-21-,26-22-,55-23+,56-24+,61-59?,62-59?,63-60?,64-60?,69-65?,69-67?,70-66?,70-68?;;