disodium 2-methoxy-5-[(4-methoxy-3-sulfonato-phenyl)-phenyl-phosphanyl]benzenesulfonate

Systemtic Name: disodium 2-methoxy-5-[(4-methoxy-3-sulfonato-phenyl)-phenyl-phosphanyl]benzenesulfonate Openeye Name: disodium 2-methoxy-5-[(4-methoxy-3-sulfonato-phenyl)-phenyl-phosphanyl]benzenesulfonate CAS Name: disodium 2-methoxy-5-[(4-methoxy-3-sulfonatophenyl)-phenylphosphino]benzenesulfonate IUPAC Name: disodium 2-methoxy-5-[(4-methoxy-3-sulfonatophenyl)-phenylphosphanyl]benzenesulfonate Traditional Name: disodium 2-methoxy-5-[(4-methoxy-3-sulfonato-phenyl)-phenyl-phosphino]besylate Formula: C20H17Na2O8PS2 MolecularWeight: 526.427481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)P(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)P(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H19O8PS2.2Na/c1-27-17-10-8-15(12-19(17)30(21,22)23)29(14-6-4-3-5-7-14)16-9-11-18(28-2)20(13-16)31(24,25)26;;/h3-13H,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2