2,4-bis(chloranyl)-3-(21,22-dihydroporphyrin-2-yl)benzenesulfonate

Systemtic Name: 2,4-bis(chloranyl)-3-(21,22-dihydroporphyrin-2-yl)benzenesulfonate Openeye Name: 2,4-dichloro-3-(21,22-dihydroporphyrin-2-yl)benzenesulfonate CAS Name: 2,4-dichloro-3-(21,22-dihydroporphyrin-2-yl)benzenesulfonate IUPAC Name: 2,4-dichloro-3-(21,22-dihydroporphyrin-2-yl)benzenesulfonate Traditional Name: 2,4-dichloro-3-(21,22-dihydroporphin-2-yl)besylate Formula: C26H15Cl2N4O3S- MolecularWeight: 534.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=C(C=CC(=C6Cl)S(=O)(=O)[O-])Cl

Isomeric SMILES

C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=C(C=CC(=C6Cl)S(=O)(=O)[O-])Cl

InChI

InChI=1S/C26H16Cl2N4O3S/c27-22-7-8-24(36(33,34)35)26(28)25(22)21-12-20-11-18-4-3-16(30-18)9-14-1-2-15(29-14)10-17-5-6-19(31-17)13-23(21)32-20/h1-13,30,32H,(H,33,34,35)/p-1