2,2-bis(prop-2-enoxymethyl)butan-1-ol; but-3-en-2-one; zirconium

Systemtic Name: 2,2-bis(prop-2-enoxymethyl)butan-1-ol; but-3-en-2-one; zirconium Openeye Name: 2,2-bis(allyloxymethyl)butan-1-ol; but-3-en-2-one; zirconium CAS Name: 2,2-bis(prop-2-enoxymethyl)-1-butanol; 3-buten-2-one; zirconium IUPAC Name: 2,2-bis(prop-2-enoxymethyl)butan-1-ol; but-3-en-2-one; zirconium Traditional Name: 2,2-bis(allyloxymethyl)butan-1-ol; but-3-en-2-one; zirconium Formula: C16H27O4Zr- MolecularWeight: 374.60718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COCC=C)COCC=C.[CH2-]C(=O)C=C.[Zr]

Isomeric SMILES

CCC(CO)(COCC=C)COCC=C.[CH2-]C(=O)C=C.[Zr]

InChI

InChI=1S/C12H22O3.C4H5O.Zr/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;1-3-4(2)5;/h4-5,13H,1-2,6-11H2,3H3;3H,1-2H2;/q;-1;