3-[(2,6-dimethyl-3-sulfo-phenyl)-phenyl-phosphanyl]-2,4-dimethyl-benzenesulfonic acid

Systemtic Name: 3-[(2,6-dimethyl-3-sulfo-phenyl)-phenyl-phosphanyl]-2,4-dimethyl-benzenesulfonic acid Openeye Name: 3-[(2,6-dimethyl-3-sulfo-phenyl)-phenyl-phosphanyl]-2,4-dimethyl-benzenesulfonic acid CAS Name: 3-[(2,6-dimethyl-3-sulfophenyl)-phenylphosphino]-2,4-dimethylbenzenesulfonic acid IUPAC Name: 3-[(2,6-dimethyl-3-sulfophenyl)-phenylphosphanyl]-2,4-dimethylbenzenesulfonic acid Traditional Name: 3-[(2,6-dimethyl-3-sulfo-phenyl)-phenyl-phosphino]-2,4-dimethyl-besylic acid Formula: C22H23O6PS2 MolecularWeight: 478.518181

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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)