[3-[15-(4-aminophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphono-pentyl]phosphonic acid

Systemtic Name: [3-[15-(4-aminophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphono-pentyl]phosphonic acid Openeye Name: [3-[15-(4-aminophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphono-pentyl]phosphonic acid CAS Name: [3-[15-(4-aminophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphonopentyl]phosphonic acid IUPAC Name: [3-[15-(4-aminophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphonopentyl]phosphonic acid Traditional Name: [3-[15-(4-aminophenyl)-23,24-dihydroporphin-5-yl]-5-phosphono-pentyl]phosphonic acid Formula: C31H31N5O6P2 MolecularWeight: 631.555262

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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(CCP(=O)(O)O)CCP(=O)(O)O)C=C4)N3)N

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C(CCP(=O)(O)O)CCP(=O)(O)O)C=C4)N3)N

InChI

InChI=1S/C31H31N5O6P2/c32-21-3-1-19(2-4-21)30-26-9-5-22(33-26)17-24-7-11-28(35-24)31(20(13-15-43(37,38)39)14-16-44(40,41)42)29-12-8-25(36-29)18-23-6-10-27(30)34-23/h1-12,17-18,20,33-34H,13-16,32H2,(H2,37,38,39)(H2,40,41,42)