1-[(Z)-anthracen-9-ylmethylideneamino]thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate

Systemtic Name: 1-[(Z)-anthracen-9-ylmethylideneamino]thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Openeye Name: [(Z)-9-anthrylmethyleneamino]thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate CAS Name: [(Z)-9-anthracenylmethylideneamino]thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate IUPAC Name: [(Z)-anthracen-9-ylmethylideneamino]thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Traditional Name: [(Z)-9-anthrylmethyleneamino]thiourea; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Formula: C40H29F12N7P2RuS MolecularWeight: 1030.76852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=S)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N\NC(=S)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C16H13N3S.2C12H8N2.2F6P.Ru/c17-16(20)19-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h1-10H,(H3,17,19,20);2*1-8H;;;/q;;;2*-1;+2/b18-10-;;;;;