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

Systemtic Name: [3-[15-(4-acetamidophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphono-pentyl]phosphonic acid Openeye Name: [3-[15-(4-acetamidophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphono-pentyl]phosphonic acid CAS Name: [3-[15-(4-acetamidophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphonopentyl]phosphonic acid IUPAC Name: [3-[15-(4-acetamidophenyl)-23,24-dihydroporphyrin-5-yl]-5-phosphonopentyl]phosphonic acid Traditional Name: [3-[15-(4-acetamidophenyl)-23,24-dihydroporphin-5-yl]-5-phosphono-pentyl]phosphonic acid Formula: C33H33N5O7P2 MolecularWeight: 673.591942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C(CCP(=O)(O)O)CCP(=O)(O)O)C=C4)N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C(CCP(=O)(O)O)CCP(=O)(O)O)C=C4)N3

InChI

InChI=1S/C33H33N5O7P2/c1-20(39)34-23-4-2-21(3-5-23)32-28-10-6-24(35-28)18-26-8-12-30(37-26)33(22(14-16-46(40,41)42)15-17-47(43,44)45)31-13-9-27(38-31)19-25-7-11-29(32)36-25/h2-13,18-19,22,35-36H,14-17H2,1H3,(H,34,39)(H2,40,41,42)(H2,43,44,45)