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

Systemtic Name: 4-[10-pyridin-4-yl-15,20-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid Openeye Name: 4-[10-(4-pyridyl)-15,20-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid CAS Name: 4-[10-pyridin-4-yl-15,20-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid IUPAC Name: 4-[10-pyridin-4-yl-15,20-bis(4-sulfophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonic acid Traditional Name: 4-[10-(4-pyridyl)-15,20-bis(4-sulfophenyl)-21,24-dihydroporphin-5-yl]besylic acid Formula: C43H29N5O9S3 MolecularWeight: 855.91346

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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)S(=O)(=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)S(=O)(=O)O

InChI

InChI=1S/C43H29N5O9S3/c49-58(50,51)29-7-1-25(2-8-29)40-32-13-15-34(45-32)41(26-3-9-30(10-4-26)59(52,53)54)36-17-19-38(47-36)43(28-21-23-44-24-22-28)39-20-18-37(48-39)42(35-16-14-33(40)46-35)27-5-11-31(12-6-27)60(55,56)57/h1-24,45-46H,(H,49,50,51)(H,52,53,54)(H,55,56,57)