cyclopenta-1,3-diene; 2-phenylethynethiolate; ruthenium(6+); triphenylphosphanium

Systemtic Name: cyclopenta-1,3-diene; 2-phenylethynethiolate; ruthenium(6+); triphenylphosphanium Openeye Name: cyclopenta-1,3-diene; 2-phenylethynethiolate; ruthenium(6+); triphenylphosphonium CAS Name: cyclopenta-1,3-diene; 2-phenylethynethiolate; ruthenium(6+); triphenylphosphonium IUPAC Name: cyclopenta-1,3-diene; 2-phenylethynethiolate; ruthenium(6+); triphenylphosphanium Traditional Name: cyclopenta-1,3-diene; 2-phenylethynethiolate; ruthenium(6+); triphenylphosphonium Formula: C49H42P2RuS+6 MolecularWeight: 825.940302

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C(C=C1)C#C[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ru+6]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C(C=C1)C#C[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ru+6]

InChI

InChI=1S/2C18H15P.C8H6S.C5H5.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-6-8-4-2-1-3-5-8;1-2-4-5-3-1;/h2*1-15H;1-5,9H;1-5H;/q;;;-1;+6/p+1