zinc 3-[15-(4-nitrophenyl)porphyrin-21,22-diid-5-yl]pentane-1,5-diol

Systemtic Name: zinc 3-[15-(4-nitrophenyl)porphyrin-21,22-diid-5-yl]pentane-1,5-diol Openeye Name: zinc 3-[15-(4-nitrophenyl)porphyrin-21,22-diid-5-yl]pentane-1,5-diol CAS Name: zinc 3-[15-(4-nitrophenyl)-5-porphyrin-21,22-diidyl]pentane-1,5-diol IUPAC Name: zinc 3-[15-(4-nitrophenyl)porphyrin-21,22-diid-5-yl]pentane-1,5-diol Traditional Name: zinc 3-[15-(4-nitrophenyl)porphine-21,22-diid-5-yl]pentane-1,5-diol Formula: C31H25N5O4Zn MolecularWeight: 596.9703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=N3)C=C4C=CC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C(CCO)CCO)[N-]4)[N+](=O)[O-].[Zn+2]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=N3)C=C4C=CC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C(CCO)CCO)[N-]4)[N+](=O)[O-].[Zn+2]

InChI

InChI=1S/C31H25N5O4.Zn/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;/h1-12,17-18,20,37-38H,13-16H2;/q-2;+2