5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-2-nitro-21,22-dihydroporphine Formula: C48H37N5O6 MolecularWeight: 779.83728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H37N5O6/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/h5-27,50,52H,1-4H3