2-ethanoylpent-4-enoate; propan-2-olate; titanium(4+)

Systemtic Name: 2-ethanoylpent-4-enoate; propan-2-olate; titanium(4+) Openeye Name: 2-acetylpent-4-enoate; propan-2-olate; titanium(4+) CAS Name: 2-acetyl-4-pentenoate; 2-propanolate; titanium(4+) IUPAC Name: 2-acetylpent-4-enoate; propan-2-olate; titanium(4+) Traditional Name: 2-acetylpent-4-enoate; propan-2-olate; titanium(4+) Formula: C16H30O6Ti MolecularWeight: 366.2728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(=O)C(CC=C)C(=O)[O-].[Ti+4]

Isomeric SMILES

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(=O)C(CC=C)C(=O)[O-].[Ti+4]

InChI

InChI=1S/C7H10O3.3C3H7O.Ti/c1-3-4-6(5(2)8)7(9)10;3*1-3(2)4;/h3,6H,1,4H2,2H3,(H,9,10);3*3H,1-2H3;/q;3*-1;+4/p-1