trisodium 5-bis(2,4-dimethyl-5-sulfonato-phenyl)phosphanyl-2,4-dimethyl-benzenesulfonate

Systemtic Name: trisodium 5-bis(2,4-dimethyl-5-sulfonato-phenyl)phosphanyl-2,4-dimethyl-benzenesulfonate Openeye Name: trisodium 5-bis(2,4-dimethyl-5-sulfonato-phenyl)phosphanyl-2,4-dimethyl-benzenesulfonate CAS Name: trisodium 5-bis(2,4-dimethyl-5-sulfonatophenyl)phosphino-2,4-dimethylbenzenesulfonate IUPAC Name: trisodium 5-bis(2,4-dimethyl-5-sulfonatophenyl)phosphanyl-2,4-dimethylbenzenesulfonate Traditional Name: trisodium 5-bis(2,4-dimethyl-5-sulfonato-phenyl)phosphino-2,4-dimethyl-besylate Formula: C24H24Na3O9PS3 MolecularWeight: 652.580031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1P(C2=CC(=C(C=C2C)C)S(=O)(=O)[O-])C3=CC(=C(C=C3C)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1P(C2=CC(=C(C=C2C)C)S(=O)(=O)[O-])C3=CC(=C(C=C3C)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+]

InChI

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