butan-2-ol; ethyl 3-oxidanylidenebutanoate; zirconium

Systemtic Name: butan-2-ol; ethyl 3-oxidanylidenebutanoate; zirconium Openeye Name: butan-2-ol; ethyl 3-oxobutanoate; zirconium CAS Name: 2-butanol; 3-oxobutanoic acid ethyl ester; zirconium IUPAC Name: butan-2-ol; ethyl 3-oxobutanoate; zirconium Traditional Name: butan-2-ol; 3-ketobutyric acid ethyl ester; zirconium Formula: C22H40O10Zr MolecularWeight: 555.771

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)O.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.[Zr]

Isomeric SMILES

CCC(C)O.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.[Zr]

InChI

InChI=1S/3C6H10O3.C4H10O.Zr/c3*1-3-9-6(8)4-5(2)7;1-3-4(2)5;/h3*3-4H2,1-2H3;4-5H,3H2,1-2H3;