4-[10,15-diphenyl-20-(4-sulfophenyl)-23,24-dihydroporphyrin-5-yl]benzenesulfonic acid

Systemtic Name: 4-[10,15-diphenyl-20-(4-sulfophenyl)-23,24-dihydroporphyrin-5-yl]benzenesulfonic acid Openeye Name: 4-[10,15-diphenyl-20-(4-sulfophenyl)-23,24-dihydroporphyrin-5-yl]benzenesulfonic acid CAS Name: 4-[10,15-diphenyl-20-(4-sulfophenyl)-23,24-dihydroporphyrin-5-yl]benzenesulfonic acid IUPAC Name: 4-[10,15-diphenyl-20-(4-sulfophenyl)-23,24-dihydroporphyrin-5-yl]benzenesulfonic acid Traditional Name: 4-[10,15-diphenyl-20-(4-sulfophenyl)-23,24-dihydroporphin-5-yl]besylic acid Formula: C44H30N4O6S2 MolecularWeight: 774.8622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H30N4O6S2/c49-55(50,51)31-15-11-29(12-16-31)43-37-23-21-35(46-37)41(27-7-3-1-4-8-27)33-19-20-34(45-33)42(28-9-5-2-6-10-28)36-22-24-38(47-36)44(40-26-25-39(43)48-40)30-13-17-32(18-14-30)56(52,53)54/h1-26,45-46H,(H,49,50,51)(H,52,53,54)