dimethyl (E)-but-2-enedioate; ruthenium; 1,3,5-trimethylbenzene

Systemtic Name: dimethyl (E)-but-2-enedioate; ruthenium; 1,3,5-trimethylbenzene Openeye Name: dimethyl (E)-but-2-enedioate; mesitylene; ruthenium CAS Name: (E)-2-butenedioic acid dimethyl ester; ruthenium; 1,3,5-trimethylbenzene IUPAC Name: dimethyl (E)-but-2-enedioate; ruthenium; 1,3,5-trimethylbenzene Traditional Name: (E)-but-2-enedioic acid dimethyl ester; mesitylene; ruthenium Formula: C21H28O8Ru MolecularWeight: 509.51222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C)C.COC(=O)C=CC(=O)OC.COC(=O)C=CC(=O)OC.[Ru]

Isomeric SMILES

CC1=CC(=CC(=C1)C)C.COC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OC.[Ru]

InChI

InChI=1S/C9H12.2C6H8O4.Ru/c1-7-4-8(2)6-9(3)5-7;2*1-9-5(7)3-4-6(8)10-2;/h4-6H,1-3H3;2*3-4H,1-2H3;/b;2*4-3+;