zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate

Systemtic Name: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate Openeye Name: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate CAS Name: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate IUPAC Name: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate Traditional Name: zinc 7,8,10,12-tetraphenylporphine-2,3,5-trisulfonate Formula: C44H25N4O9S3Zn- MolecularWeight: 915.2947

Click to see the large picture

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.[Zn+2]

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.[Zn+2]

InChI

InChI=1S/C44H28N4O9S3.Zn/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);/q;+2/p-3