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

Systemtic Name: 4-[10,20-dipyridin-4-yl-15-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid Openeye Name: 4-[10,20-bis(4-pyridyl)-15-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid CAS Name: 4-[10,20-dipyridin-4-yl-15-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid IUPAC Name: 4-[10,20-dipyridin-4-yl-15-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid Traditional Name: 4-[10,20-bis(4-pyridyl)-15-(4-sulfophenyl)-21,22-dihydroporphin-5-yl]besylic acid Formula: C42H28N6O6S2 MolecularWeight: 776.83832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=NC=C9)N3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=NC=C9)N3)S(=O)(=O)O

InChI

InChI=1S/C42H28N6O6S2/c49-55(50,51)29-5-1-25(2-6-29)39-31-9-13-35(45-31)41(27-17-21-43-22-18-27)37-15-11-33(47-37)40(26-3-7-30(8-4-26)56(52,53)54)34-12-16-38(48-34)42(28-19-23-44-24-20-28)36-14-10-32(39)46-36/h1-24,45-46H,(H,49,50,51)(H,52,53,54)