2,3,3a,7a-tetrahydro-1H-indene; 2,2-dimethylpropanoic acid; zirconium

Systemtic Name: 2,3,3a,7a-tetrahydro-1H-indene; 2,2-dimethylpropanoic acid; zirconium Openeye Name: 2,3,3a,7a-tetrahydro-1H-indene; 2,2-dimethylpropanoic acid; zirconium CAS Name: 2,3,3a,7a-tetrahydro-1H-indene; 2,2-dimethylpropanoic acid; zirconium IUPAC Name: 2,3,3a,7a-tetrahydro-1H-indene; 2,2-dimethylpropanoic acid; zirconium Traditional Name: 2,3,3a,7a-tetrahydro-1H-indene; 2,2-dimethylpropionic acid; zirconium Formula: C24H42O6Zr MolecularWeight: 517.81068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.C1CC2C=CC=CC2C1.[Zr]

Isomeric SMILES

CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.C1CC2C=CC=CC2C1.[Zr]

InChI

InChI=1S/C9H12.3C5H10O2.Zr/c1-2-5-9-7-3-6-8(9)4-1;3*1-5(2,3)4(6)7;/h1-2,4-5,8-9H,3,6-7H2;3*1-3H3,(H,6,7);