(E)-4-ethoxy-4-oxidanyl-but-3-en-2-one; titanium; undecan-1-ol

Systemtic Name: (E)-4-ethoxy-4-oxidanyl-but-3-en-2-one; titanium; undecan-1-ol Openeye Name: (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; titanium; undecan-1-ol CAS Name: (E)-4-ethoxy-4-hydroxy-3-buten-2-one; titanium; 1-undecanol IUPAC Name: (E)-4-ethoxy-4-hydroxybut-3-en-2-one; titanium; undecan-1-ol Traditional Name: (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; titanium; undecan-1-ol Formula: C28H58O5Ti MolecularWeight: 522.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCO.CCCCCCCCCCCO.CCOC(=CC(=O)C)O.[Ti]

Isomeric SMILES

CCCCCCCCCCCO.CCCCCCCCCCCO.CCO/C(=C/C(=O)C)/O.[Ti]

InChI

InChI=1S/2C11H24O.C6H10O3.Ti/c2*1-2-3-4-5-6-7-8-9-10-11-12;1-3-9-6(8)4-5(2)7;/h2*12H,2-11H2,1H3;4,8H,3H2,1-2H3;/b;;6-4+;