carbon monoxide; chloranylruthenium; 4-diphenylphosphanylbenzenesulfonic acid

Systemtic Name: carbon monoxide; chloranylruthenium; 4-diphenylphosphanylbenzenesulfonic acid Openeye Name: carbon monoxide; chlororuthenium; 4-diphenylphosphanylbenzenesulfonic acid CAS Name: carbon monoxide; chlororuthenium; 4-diphenylphosphinobenzenesulfonic acid IUPAC Name: carbon monoxide; chlororuthenium; 4-diphenylphosphanylbenzenesulfonic acid Traditional Name: carbon monoxide; chlororuthenium; 4-diphenylphosphinobesylic acid Formula: C55H45ClO10P3RuS3 MolecularWeight: 1191.579083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H15O3PS.CO.ClH.Ru/c3*19-23(20,21)18-13-11-17(12-14-18)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2;;/h3*1-14H,(H,19,20,21);;1H;/q;;;;;+1/p-1