4-[20-phenyl-10,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid

Systemtic Name: 4-[20-phenyl-10,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid Openeye Name: 4-[20-phenyl-10,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid CAS Name: 4-[20-phenyl-10,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid IUPAC Name: 4-[20-phenyl-10,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid Traditional Name: 4-[20-phenyl-10,15-bis(4-sulfophenyl)-21,24-dihydroporphin-5-yl]besylic acid Formula: C44H30N4O9S3 MolecularWeight: 854.9254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)S(=O)(=O)O)C=C5)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)S(=O)(=O)O)C=C5)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3

InChI

InChI=1S/C44H30N4O9S3/c49-58(50,51)30-12-6-27(7-13-30)42-35-20-18-33(45-35)41(26-4-2-1-3-5-26)34-19-21-36(46-34)43(28-8-14-31(15-9-28)59(52,53)54)38-23-25-40(48-38)44(39-24-22-37(42)47-39)29-10-16-32(17-11-29)60(55,56)57/h1-25,45-46H,(H,49,50,51)(H,52,53,54)(H,55,56,57)