trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-methyl-4-propan-2-yl-benzene; ruthenium(2+); dichloride

Systemtic Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-methyl-4-propan-2-yl-benzene; ruthenium(2+); dichloride Openeye Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-isopropyl-4-methyl-benzene; ruthenium(2+); dichloride CAS Name: trisodium; 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; 1-methyl-4-propan-2-ylbenzene; ruthenium(2+); dichloride IUPAC Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 1-methyl-4-propan-2-ylbenzene; ruthenium(2+); dichloride Traditional Name: trisodium; 3-bis(3-sulfonatophenyl)phosphinobesylate; p-cymene; ruthenium(2+); dichloride Formula: C28H26Cl2Na3O9PRuS3 MolecularWeight: 874.614711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cl-].[Cl-].[Ru+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cl-].[Cl-].[Ru+2]

InChI

InChI=1S/C18H15O9PS3.C10H14.2ClH.3Na.Ru/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;1-8(2)10-6-4-9(3)5-7-10;;;;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);4-8H,1-3H3;2*1H;;;;/q;;;;3*+1;+2/p-5