8,10,12,13-tetraphenyl-23,24-dihydroporphyrin-2,3,5,7-tetrasulfonic acid

Systemtic Name: 8,10,12,13-tetraphenyl-23,24-dihydroporphyrin-2,3,5,7-tetrasulfonic acid Openeye Name: 8,10,12,13-tetraphenyl-23,24-dihydroporphyrin-2,3,5,7-tetrasulfonic acid CAS Name: 8,10,12,13-tetraphenyl-23,24-dihydroporphyrin-2,3,5,7-tetrasulfonic acid IUPAC Name: 8,10,12,13-tetraphenyl-23,24-dihydroporphyrin-2,3,5,7-tetrasulfonic acid Traditional Name: 8,10,12,13-tetraphenyl-23,24-dihydroporphine-2,3,5,7-tetrasulfonic acid Formula: C44H30N4O12S4 MolecularWeight: 934.9886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C4C=CC(=CC5=NC(=C(C6=NC(=C(C(=C2C7=CC=CC=C7)N3)C8=CC=CC=C8)C(=C6S(=O)(=O)O)C9=CC=CC=C9)S(=O)(=O)O)C(=C5S(=O)(=O)O)S(=O)(=O)O)N4

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C4C=CC(=CC5=NC(=C(C6=NC(=C(C(=C2C7=CC=CC=C7)N3)C8=CC=CC=C8)C(=C6S(=O)(=O)O)C9=CC=CC=C9)S(=O)(=O)O)C(=C5S(=O)(=O)O)S(=O)(=O)O)N4

InChI

InChI=1S/C44H30N4O12S4/c49-61(50,51)41-32-24-30-22-21-29(45-30)23-31-33(25-13-5-1-6-14-25)34(26-15-7-2-8-16-26)37(46-31)35(27-17-9-3-10-18-27)38-36(28-19-11-4-12-20-28)42(62(52,53)54)39(48-38)43(63(55,56)57)40(47-32)44(41)64(58,59)60/h1-24,45-46H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)