2-nitro-5-[15-(4-nitro-3-oxidanyl-phenyl)-21,22-dihydroporphyrin-5-yl]phenol

Systemtic Name: 2-nitro-5-[15-(4-nitro-3-oxidanyl-phenyl)-21,22-dihydroporphyrin-5-yl]phenol Openeye Name: 5-[15-(3-hydroxy-4-nitro-phenyl)-21,22-dihydroporphyrin-5-yl]-2-nitro-phenol CAS Name: 5-[15-(3-hydroxy-4-nitrophenyl)-21,22-dihydroporphyrin-5-yl]-2-nitrophenol IUPAC Name: 5-[15-(3-hydroxy-4-nitrophenyl)-21,22-dihydroporphyrin-5-yl]-2-nitrophenol Traditional Name: 5-[15-(3-hydroxy-4-nitro-phenyl)-21,22-dihydroporphin-5-yl]-2-nitro-phenol Formula: C32H20N6O6 MolecularWeight: 584.5378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC(=C(C=C7)[N+](=O)[O-])O)C=C4)N3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC(=C(C=C7)[N+](=O)[O-])O)C=C4)N3)O)[N+](=O)[O-]

InChI

InChI=1S/C32H20N6O6/c39-29-13-17(1-11-27(29)37(41)42)31-23-7-3-19(33-23)15-21-5-9-25(35-21)32(18-2-12-28(38(43)44)30(40)14-18)26-10-6-22(36-26)16-20-4-8-24(31)34-20/h1-16,33-34,39-40H