4-(21,22-dihydroporphyrin-2-yl)benzenesulfonate

Systemtic Name: 4-(21,22-dihydroporphyrin-2-yl)benzenesulfonate Openeye Name: 4-(21,22-dihydroporphyrin-2-yl)benzenesulfonate CAS Name: 4-(21,22-dihydroporphyrin-2-yl)benzenesulfonate IUPAC Name: 4-(21,22-dihydroporphyrin-2-yl)benzenesulfonate Traditional Name: 4-(21,22-dihydroporphin-2-yl)besylate Formula: C26H17N4O3S- MolecularWeight: 465.50318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)S(=O)(=O)[O-]

InChI

InChI=1S/C26H18N4O3S/c31-34(32,33)24-9-1-16(2-10-24)25-14-23-13-21-6-5-19(28-21)11-17-3-4-18(27-17)12-20-7-8-22(29-20)15-26(25)30-23/h1-15,28,30H,(H,31,32,33)/p-1