trisodium 3-bis(2,6-dimethyl-3-sulfonato-phenyl)phosphanyl-2,4-dimethyl-benzenesulfonate

Systemtic Name: trisodium 3-bis(2,6-dimethyl-3-sulfonato-phenyl)phosphanyl-2,4-dimethyl-benzenesulfonate Openeye Name: trisodium 3-bis(2,6-dimethyl-3-sulfonato-phenyl)phosphanyl-2,4-dimethyl-benzenesulfonate CAS Name: trisodium 3-bis(2,6-dimethyl-3-sulfonatophenyl)phosphino-2,4-dimethylbenzenesulfonate IUPAC Name: trisodium 3-bis(2,6-dimethyl-3-sulfonatophenyl)phosphanyl-2,4-dimethylbenzenesulfonate Traditional Name: trisodium 3-bis(2,6-dimethyl-3-sulfonato-phenyl)phosphino-2,4-dimethyl-besylate Formula: C24H24Na3O9PS3 MolecularWeight: 652.580031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])C)P(C2=C(C=CC(=C2C)S(=O)(=O)[O-])C)C3=C(C=CC(=C3C)S(=O)(=O)[O-])C.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])C)P(C2=C(C=CC(=C2C)S(=O)(=O)[O-])C)C3=C(C=CC(=C3C)S(=O)(=O)[O-])C.[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H27O9PS3.3Na/c1-13-7-10-19(35(25,26)27)16(4)22(13)34(23-14(2)8-11-20(17(23)5)36(28,29)30)24-15(3)9-12-21(18(24)6)37(31,32)33;;;/h7-12H,1-6H3,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3