disodium; cyclopentane; 3-diphenylphosphanylbenzenesulfonate; purin-9-id-6-amine; ruthenium(1+)

Systemtic Name: disodium; cyclopentane; 3-diphenylphosphanylbenzenesulfonate; purin-9-id-6-amine; ruthenium(1+) Openeye Name: disodium; cyclopentane; 3-diphenylphosphanylbenzenesulfonate; purin-9-id-6-amine; ruthenium(1+) CAS Name: disodium; cyclopentane; 3-diphenylphosphinobenzenesulfonate; 6-purin-9-idamine; ruthenium(1+) IUPAC Name: disodium; cyclopentane; 3-diphenylphosphanylbenzenesulfonate; purin-9-id-6-amine; ruthenium(1+) Traditional Name: disodium; cyclopentane; 3-diphenylphosphinobesylate; purin-9-id-6-ylamine; ruthenium(1+) Formula: C46H37N5Na2O6P2RuS2 MolecularWeight: 1028.942942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].[CH]1[CH][CH][CH][CH]1.C1=NC2=C([N-]1)N=CN=C2N.[Na+].[Na+].[Ru+]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].[CH]1[CH][CH][CH][CH]1.C1=NC2=C([N-]1)N=CN=C2N.[Na+].[Na+].[Ru+]

InChI

InChI=1S/2C18H15O3PS.C5H4N5.C5H5.2Na.Ru/c2*19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;6-4-3-5(9-1-7-3)10-2-8-4;1-2-4-5-3-1;;;/h2*1-14H,(H,19,20,21);1-2H,(H2-,6,7,8,9,10);1-5H;;;/q;;-1;;3*+1/p-2