5-[4-[20-[4-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]-10,15-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]phenoxy]pentanoic acid

Systemtic Name: 5-[4-[20-[4-(5-oxidanyl-5-oxidanylidene-pentoxy)phenyl]-10,15-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]phenoxy]pentanoic acid Openeye Name: 5-[4-[20-[4-(5-hydroxy-5-oxo-pentoxy)phenyl]-10,15-bis(4-pyridyl)-21,24-dihydroporphyrin-5-yl]phenoxy]pentanoic acid CAS Name: 5-[4-[20-[4-(5-hydroxy-5-oxopentoxy)phenyl]-10,15-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]phenoxy]pentanoic acid IUPAC Name: 5-[4-[20-[4-(5-hydroxy-5-oxopentoxy)phenyl]-10,15-dipyridin-4-yl-21,24-dihydroporphyrin-5-yl]phenoxy]pentanoic acid Traditional Name: 5-[4-[20-[4-(5-hydroxy-5-keto-pentoxy)phenyl]-10,15-bis(4-pyridyl)-21,24-dihydroporphin-5-yl]phenoxy]valeric acid Formula: C52H44N6O6 MolecularWeight: 848.94236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=C(C=C9)OCCCCC(=O)O)N3)OCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=C(C=C9)OCCCCC(=O)O)N3)OCCCCC(=O)O

InChI

InChI=1S/C52H44N6O6/c59-47(60)5-1-3-31-63-37-11-7-33(8-12-37)49-39-15-16-40(55-39)50(34-9-13-38(14-10-34)64-32-4-2-6-48(61)62)42-18-20-44(57-42)52(36-25-29-54-30-26-36)46-22-21-45(58-46)51(35-23-27-53-28-24-35)43-19-17-41(49)56-43/h7-30,55-56H,1-6,31-32H2,(H,59,60)(H,61,62)