3-[15-(4-nitrophenyl)-23,24-dihydroporphyrin-5-yl]pentane-1,5-diol

Systemtic Name: 3-[15-(4-nitrophenyl)-23,24-dihydroporphyrin-5-yl]pentane-1,5-diol Openeye Name: 3-[15-(4-nitrophenyl)-23,24-dihydroporphyrin-5-yl]pentane-1,5-diol CAS Name: 3-[15-(4-nitrophenyl)-23,24-dihydroporphyrin-5-yl]pentane-1,5-diol IUPAC Name: 3-[15-(4-nitrophenyl)-23,24-dihydroporphyrin-5-yl]pentane-1,5-diol Traditional Name: 3-[15-(4-nitrophenyl)-23,24-dihydroporphin-5-yl]pentane-1,5-diol Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27N5O4/c37-15-13-20(14-16-38)31-28-11-5-23(34-28)17-21-3-9-26(32-21)30(19-1-7-25(8-2-19)36(39)40)27-10-4-22(33-27)18-24-6-12-29(31)35-24/h1-12,17-18,20,32-33,37-38H,13-16H2