cyclopenta-1,3-diene; 2,2-dimethylpropanoyl 3,3-dimethyl-2-oxidanylidene-butanoate; 2-ethylcyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; ruthenium(6+)

Systemtic Name: cyclopenta-1,3-diene; 2,2-dimethylpropanoyl 3,3-dimethyl-2-oxidanylidene-butanoate; 2-ethylcyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; ruthenium(6+) Openeye Name: cyclopenta-1,3-diene; 2,2-dimethylpropanoyl 3,3-dimethyl-2-oxo-butanoate; 2-ethylcyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; ruthenium(6+) CAS Name: cyclopenta-1,3-diene; 3,3-dimethyl-2-oxobutanoic acid (2,2-dimethyl-1-oxopropyl) ester; 2-ethylcyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; ruthenium(6+) IUPAC Name: cyclopenta-1,3-diene; 2,2-dimethylpropanoyl 3,3-dimethyl-2-oxobutanoate; 2-ethylcyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; ruthenium(6+) Traditional Name: cyclopenta-1,3-diene; 2-ethylcyclopenta-1,3-diene; 2-keto-3,3-dimethyl-butyric acid pivaloyl ester; 2-methylcyclopenta-1,3-diene; ruthenium(6+) Formula: C69H96O12Ru MolecularWeight: 1218.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC(C)(C)C(=O)C(=O)OC(=O)C(C)(C)C.CC(C)(C)C(=O)C(=O)OC(=O)C(C)(C)C.CC(C)(C)C(=O)C(=O)OC(=O)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ru+6]

Isomeric SMILES

CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC(C)(C)C(=O)C(=O)OC(=O)C(C)(C)C.CC(C)(C)C(=O)C(=O)OC(=O)C(C)(C)C.CC(C)(C)C(=O)C(=O)OC(=O)C(C)(C)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ru+6]

InChI

InChI=1S/3C11H18O4.2C7H9.2C6H7.2C5H5.Ru/c3*1-10(2,3)7(12)8(13)15-9(14)11(4,5)6;2*1-2-7-5-3-4-6-7;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;/h3*1-6H3;2*3,5H,2,4H2,1H3;2*2,4H,3H2,1H3;2*1-3H,4H2;/q;;;6*-1;+6