chloranylruthenium(1+); 4-(2-diphenylphosphanylphenyl)carbonyloxybenzenethiolate; 1-methyl-4-propan-2-yl-benzene; ruthenium(2+)

Systemtic Name: chloranylruthenium(1+); 4-(2-diphenylphosphanylphenyl)carbonyloxybenzenethiolate; 1-methyl-4-propan-2-yl-benzene; ruthenium(2+) Openeye Name: chlororuthenium(1+); 4-(2-diphenylphosphanylbenzoyl)oxybenzenethiolate; 1-isopropyl-4-methyl-benzene; ruthenium(2+) CAS Name: chlororuthenium(1+); 4-[(2-diphenylphosphinophenyl)-oxomethoxy]benzenethiolate; 1-methyl-4-propan-2-ylbenzene; ruthenium(2+) IUPAC Name: chlororuthenium(1+); 4-(2-diphenylphosphanylbenzoyl)oxybenzenethiolate; 1-methyl-4-propan-2-ylbenzene; ruthenium(2+) Traditional Name: chlororuthenium(1+); 4-(2-diphenylphosphinobenzoyl)oxybenzenethiolate; p-cymene; ruthenium(2+) Formula: C95H82ClO6P3Ru2S3 MolecularWeight: 1746.373263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC4=CC=C(C=C4)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC4=CC=C(C=C4)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC4=CC=C(C=C4)[S-].Cl[Ru+].[Ru+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC4=CC=C(C=C4)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC4=CC=C(C=C4)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC4=CC=C(C=C4)[S-].Cl[Ru+].[Ru+2]

InChI

InChI=1S/3C25H19O2PS.2C10H14.ClH.2Ru/c3*26-25(27-19-15-17-22(29)18-16-19)23-13-7-8-14-24(23)28(20-9-3-1-4-10-20)21-11-5-2-6-12-21;2*1-8(2)10-6-4-9(3)5-7-10;;;/h3*1-18,29H;2*4-8H,1-3H3;1H;;/q;;;;;;2*+2/p-4