2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzenesulfonic acid

Systemtic Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzenesulfonic acid Openeye Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzenesulfonic acid CAS Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzenesulfonic acid IUPAC Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzenesulfonic acid Traditional Name: 2-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)besylic acid Formula: C44H30N4O3S MolecularWeight: 694.799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7S(=O)(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7S(=O)(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

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