2,3,3a,7a-tetrahydro-1H-inden-3-ide; 2,2-dimethylpropanoate; zirconium(4+)

Systemtic Name: 2,3,3a,7a-tetrahydro-1H-inden-3-ide; 2,2-dimethylpropanoate; zirconium(4+) Openeye Name: 2,3,3a,7a-tetrahydro-1H-inden-3-ide; 2,2-dimethylpropanoate; zirconium(4+) CAS Name: 2,3,3a,7a-tetrahydro-1H-inden-3-ide; 2,2-dimethylpropanoate; zirconium(4+) IUPAC Name: 2,3,3a,7a-tetrahydro-1H-inden-3-ide; 2,2-dimethylpropanoate; zirconium(4+) Traditional Name: 2,3,3a,7a-tetrahydro-1H-inden-3-ide; 2,2-dimethylpropionate; zirconium(4+) Formula: C24H38O6Zr MolecularWeight: 513.77892

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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=CC2[CH-]1.[Zr+4]

Isomeric SMILES

CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C1CC2C=CC=CC2[CH-]1.[Zr+4]

InChI

InChI=1S/C9H11.3C5H10O2.Zr/c1-2-5-9-7-3-6-8(9)4-1;3*1-5(2,3)4(6)7;/h1-2,4-6,8-9H,3,7H2;3*1-3H3,(H,6,7);/q-1;;;;+4/p-3