zinc 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]porphyrin-21,22-diide

Systemtic Name: zinc 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]porphyrin-21,22-diide Openeye Name: zinc 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]porphyrin-21,22-diide CAS Name: zinc 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]porphyrin-21,22-diide IUPAC Name: zinc 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]porphyrin-21,22-diide Traditional Name: zinc 5,15-bis[4-(3-mesylpropoxy)phenyl]porphine-21,22-diide Formula: C40H36N4O6S2Zn MolecularWeight: 798.27604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)OCCCS(=O)(=O)C)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

CS(=O)(=O)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)OCCCS(=O)(=O)C)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C40H36N4O6S2.Zn/c1-51(45,46)23-3-21-49-33-13-5-27(6-14-33)39-35-17-9-29(41-35)25-31-11-19-37(43-31)40(38-20-12-32(44-38)26-30-10-18-36(39)42-30)28-7-15-34(16-8-28)50-22-4-24-52(2,47)48;/h5-20,25-26H,3-4,21-24H2,1-2H3;/q-2;+2