7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonic acid

Systemtic Name: 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonic acid Openeye Name: 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonic acid CAS Name: 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonic acid IUPAC Name: 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonic acid Traditional Name: 7,8,10,12-tetraphenylporphine-2,3,5-trisulfonic acid Formula: C44H28N4O9S3 MolecularWeight: 852.90952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=NC2=C(C4=NC(=C(C5=NC(=CC6=NC(=C3)C=C6)C(=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=C4C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=NC2=C(C4=NC(=C(C5=NC(=CC6=NC(=C3)C=C6)C(=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=C4C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C44H28N4O9S3/c49-58(50,51)42-34-25-31-22-21-30(45-31)23-32-24-33(26-13-5-1-6-14-26)38(46-32)37(29-19-11-4-12-20-29)39-35(27-15-7-2-8-16-27)36(28-17-9-3-10-18-28)40(48-39)43(59(52,53)54)41(47-34)44(42)60(55,56)57/h1-25H,(H,49,50,51)(H,52,53,54)(H,55,56,57)