carbanide; (E)-4-ethoxy-4-oxidanyl-but-3-en-2-one; titanium(2+)

Systemtic Name: carbanide; (E)-4-ethoxy-4-oxidanyl-but-3-en-2-one; titanium(2+) Openeye Name: carbanide; (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; titanium(2+) CAS Name: carbanide; (E)-4-ethoxy-4-hydroxy-3-buten-2-one; titanium(2+) IUPAC Name: carbanide; (E)-4-ethoxy-4-hydroxybut-3-en-2-one; titanium(2+) Traditional Name: carbanide; (E)-4-ethoxy-4-hydroxy-but-3-en-2-one; titanium(2+) Formula: C8H16O3Ti MolecularWeight: 208.07784

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CCOC(=CC(=O)C)O.[Ti+2]

Isomeric SMILES

[CH3-].[CH3-].CCO/C(=C/C(=O)C)/O.[Ti+2]

InChI

InChI=1S/C6H10O3.2CH3.Ti/c1-3-9-6(8)4-5(2)7;;;/h4,8H,3H2,1-2H3;2*1H3;/q;2*-1;+2/b6-4+;;;