5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]-21,22-dihydroporphyrin Openeye Name: 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]-21,22-dihydroporphyrin CAS Name: 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]-21,22-dihydroporphyrin Traditional Name: 5,15-bis[4-(3-mesylpropoxy)phenyl]-21,22-dihydroporphine Formula: C40H38N4O6S2 MolecularWeight: 734.88292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)OCCCS(=O)(=O)C)C=C4)N3

Isomeric SMILES

CS(=O)(=O)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)OCCCS(=O)(=O)C)C=C4)N3

InChI

InChI=1S/C40H38N4O6S2/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/h5-20,25-26,41-42H,3-4,21-24H2,1-2H3