4-[10-(4-nitrophenyl)-15-pyridin-4-yl-20-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid

Systemtic Name: 4-[10-(4-nitrophenyl)-15-pyridin-4-yl-20-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid Openeye Name: 4-[10-(4-nitrophenyl)-15-(4-pyridyl)-20-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid CAS Name: 4-[10-(4-nitrophenyl)-15-pyridin-4-yl-20-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid IUPAC Name: 4-[10-(4-nitrophenyl)-15-pyridin-4-yl-20-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid Traditional Name: 4-[10-(4-nitrophenyl)-15-(4-pyridyl)-20-(4-sulfophenyl)-21,22-dihydroporphin-5-yl]besylic acid Formula: C43H28N6O8S2 MolecularWeight: 820.84782

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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=C(C=C8)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)N3)[N+](=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=C(C=C8)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)N3)[N+](=O)[O-]

InChI

InChI=1S/C43H28N6O8S2/c50-49(51)29-7-1-25(2-8-29)40-32-13-14-34(45-32)41(26-3-9-30(10-4-26)58(52,53)54)35-15-16-36(46-35)42(27-5-11-31(12-6-27)59(55,56)57)37-18-20-39(48-37)43(28-21-23-44-24-22-28)38-19-17-33(40)47-38/h1-24,45-46H,(H,52,53,54)(H,55,56,57)