dodecasodium; bis(chloranyl)ruthenium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate

Systemtic Name: dodecasodium; bis(chloranyl)ruthenium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate Openeye Name: dodecasodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; dichlororuthenium CAS Name: dodecasodium; 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; dichlororuthenium IUPAC Name: dodecasodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; dichlororuthenium Traditional Name: dodecasodium; 3-bis(3-sulfonatophenyl)phosphinobesylate; dichlororuthenium Formula: C72H48Cl4Na12O36P4Ru2S12 MolecularWeight: 2617.634204

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Descriptors Computed from Structure

Canonical SMILES:

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-].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-].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-].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+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cl[Ru]Cl.Cl[Ru]Cl

Isomeric SMILES

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-].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-].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-].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+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cl[Ru]Cl.Cl[Ru]Cl

InChI

InChI=1S/4C18H15O9PS3.4ClH.12Na.2Ru/c4*19-29(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;;;;;;;;;;;;;;;;;;/h4*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);4*1H;;;;;;;;;;;;;;/q;;;;;;;;12*+1;2*+2/p-16