5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-21,22-dihydroporphine Formula: C48H37N5O6 MolecularWeight: 779.83728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)[N+](=O)[O-])C9=CC=C(C=C9)OC)N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)[N+](=O)[O-])C9=CC=C(C=C9)OC)N3

InChI

InChI=1S/C48H37N5O6/c1-56-32-13-5-28(6-14-32)44-36-21-22-37(49-36)45(29-7-15-33(57-2)16-8-29)39-25-26-41(51-39)47(31-11-19-35(59-4)20-12-31)48-43(53(54)55)27-42(52-48)46(40-24-23-38(44)50-40)30-9-17-34(58-3)18-10-30/h5-27,50,52H,1-4H3