3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonic acid

Systemtic Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonic acid Openeye Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonic acid CAS Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonic acid IUPAC Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonic acid Traditional Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphine-2-sulfonic acid Formula: C44H30N4O3S MolecularWeight: 694.799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)S(=O)(=O)O)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)S(=O)(=O)O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C44H30N4O3S/c49-52(50,51)44-37-27-35-24-22-33(46-35)25-32-21-23-34(45-32)26-36-38(28-13-5-1-6-14-28)39(29-15-7-2-8-16-29)42(47-36)40(30-17-9-3-10-18-30)43(48-37)41(44)31-19-11-4-12-20-31/h1-27,45-46H,(H,49,50,51)