4-[17,18,20-tris(4-carboxyphenyl)-21,22-dihydroporphyrin-2-yl]benzoic acid

Systemtic Name: 4-[17,18,20-tris(4-carboxyphenyl)-21,22-dihydroporphyrin-2-yl]benzoic acid Openeye Name: 4-[17,18,20-tris(4-carboxyphenyl)-21,22-dihydroporphyrin-2-yl]benzoic acid CAS Name: 4-[17,18,20-tris(4-carboxyphenyl)-21,22-dihydroporphyrin-2-yl]benzoic acid IUPAC Name: 4-[17,18,20-tris(4-carboxyphenyl)-21,22-dihydroporphyrin-2-yl]benzoic acid Traditional Name: 4-[17,18,20-tris(4-carboxyphenyl)-21,22-dihydroporphin-2-yl]benzoic acid Formula: C48H30N4O8 MolecularWeight: 790.7738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)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)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)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)C(=O)O

InChI

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