4-[6-(4-sulfophenyl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium-6-yl]benzenesulfonic acid

Systemtic Name: 4-[6-(4-sulfophenyl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium-6-yl]benzenesulfonic acid Openeye Name: 4-[6-(4-sulfophenyl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium-6-yl]benzenesulfonic acid CAS Name: 4-[6-(4-sulfophenyl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium-6-yl]benzenesulfonic acid IUPAC Name: 4-[6-(4-sulfophenyl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium-6-yl]benzenesulfonic acid Traditional Name: 4-[6-(4-sulfophenyl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium-6-yl]besylic acid Formula: C26H22O6PS2+ MolecularWeight: 525.553041

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=CC=CC=C3C[P+]1(C4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C3=CC=CC=C3C[P+]1(C4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C26H21O6PS2/c27-34(28,29)23-13-9-21(10-14-23)33(22-11-15-24(16-12-22)35(30,31)32)17-19-5-1-3-7-25(19)26-8-4-2-6-20(26)18-33/h1-16H,17-18H2,(H-,27,28,29,30,31,32)/p+1