3-[(2,6-dimethyl-3-sulfonato-phenyl)-phenyl-phosphanyl]-2,4-dimethyl-benzenesulfonate

Systemtic Name: 3-[(2,6-dimethyl-3-sulfonato-phenyl)-phenyl-phosphanyl]-2,4-dimethyl-benzenesulfonate Openeye Name: 3-[(2,6-dimethyl-3-sulfonato-phenyl)-phenyl-phosphanyl]-2,4-dimethyl-benzenesulfonate CAS Name: 3-[(2,6-dimethyl-3-sulfonatophenyl)-phenylphosphino]-2,4-dimethylbenzenesulfonate IUPAC Name: 3-[(2,6-dimethyl-3-sulfonatophenyl)-phenylphosphanyl]-2,4-dimethylbenzenesulfonate Traditional Name: 3-[(2,6-dimethyl-3-sulfonato-phenyl)-phenyl-phosphino]-2,4-dimethyl-besylate Formula: C22H21O6PS2-2 MolecularWeight: 476.502301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])C)P(C2=CC=CC=C2)C3=C(C=CC(=C3C)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])C)P(C2=CC=CC=C2)C3=C(C=CC(=C3C)S(=O)(=O)[O-])C

InChI

InChI=1S/C22H23O6PS2/c1-14-10-12-19(30(23,24)25)16(3)21(14)29(18-8-6-5-7-9-18)22-15(2)11-13-20(17(22)4)31(26,27)28/h5-13H,1-4H3,(H,23,24,25)(H,26,27,28)/p-2