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

Systemtic Name: (E)-4-ethoxy-4-oxidanyl-but-3-en-2-one; propan-2-ol; titanium Openeye Name: (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; propan-2-ol; titanium CAS Name: (E)-4-ethoxy-4-hydroxy-3-buten-2-one; 2-propanol; titanium IUPAC Name: (E)-4-ethoxy-4-hydroxybut-3-en-2-one; propan-2-ol; titanium Traditional Name: (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; propan-2-ol; titanium Formula: C12H26O5Ti MolecularWeight: 298.19884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O3.2C3H8O.Ti/c1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h4,8H,3H2,1-2H3;2*3-4H,1-2H3;/b6-4+;;;