4-[10,15,20-tris(4-carboxylatophenyl)-21,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: 4-[10,15,20-tris(4-carboxylatophenyl)-21,24-dihydroporphyrin-5-yl]benzoate Openeye Name: 4-[10,15,20-tris(4-carboxylatophenyl)-21,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10,15,20-tris(4-carboxylatophenyl)-21,24-dihydroporphyrin-5-yl]benzoate IUPAC Name: 4-[10,15,20-tris(4-carboxylatophenyl)-21,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris(4-carboxylatophenyl)-21,24-dihydroporphin-5-yl]benzoate Formula: C48H26N4O8-4 MolecularWeight: 786.74204

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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=C(C=C7)C(=O)[O-])C8=CC=C(C=C8)C(=O)[O-])C9=CC=C(C=C9)C(=O)[O-])N3)C(=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=C(C=C7)C(=O)[O-])C8=CC=C(C=C8)C(=O)[O-])C9=CC=C(C=C9)C(=O)[O-])N3)C(=O)[O-]

InChI

InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49-50H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-4