copper 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-porphyrin-22,24-diide

Systemtic Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-porphyrin-22,24-diide Openeye Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-porphyrin-22,24-diide CAS Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitroporphyrin-22,24-diide IUPAC Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitroporphyrin-22,24-diide Traditional Name: cupric 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-porphine-22,24-diide Formula: C48H35CuN5O6 MolecularWeight: 841.3674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OC)C8=CC(=CC=C8)OC)C(=C4)[N+](=O)[O-])C9=CC(=CC=C9)OC)[N-]3.[Cu+2]

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OC)C8=CC(=CC=C8)OC)C(=C4)[N+](=O)[O-])C9=CC(=CC=C9)OC)[N-]3.[Cu+2]

InChI

InChI=1S/C48H35N5O6.Cu/c1-56-32-13-5-9-28(23-32)44-36-17-18-37(49-36)45(29-10-6-14-33(24-29)57-2)39-21-22-41(51-39)47(31-12-8-16-35(26-31)59-4)48-43(53(54)55)27-42(52-48)46(40-20-19-38(44)50-40)30-11-7-15-34(25-30)58-3;/h5-27H,1-4H3;/q-2;+2