carbanide; (E)-4-oxidanyl-4-prop-2-enoxy-but-3-en-2-one; titanium

Systemtic Name: carbanide; (E)-4-oxidanyl-4-prop-2-enoxy-but-3-en-2-one; titanium Openeye Name: (E)-4-allyloxy-4-hydroxy-but-3-en-2-one; carbanide; titanium CAS Name: carbanide; (E)-4-hydroxy-4-prop-2-enoxy-3-buten-2-one; titanium IUPAC Name: carbanide; (E)-4-hydroxy-4-prop-2-enoxybut-3-en-2-one; titanium Traditional Name: (E)-4-allyloxy-4-hydroxy-but-3-en-2-one; carbanide; titanium Formula: C8H13O3Ti- MolecularWeight: 205.05402

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC(=O)C=C(O)OCC=C.[Ti]

Isomeric SMILES

[CH3-].CC(=O)/C=C(\O)/OCC=C.[Ti]

InChI

InChI=1S/C7H10O3.CH3.Ti/c1-3-4-10-7(9)5-6(2)8;;/h3,5,9H,1,4H2,2H3;1H3;/q;-1;/b7-5+;;