butan-1-olate; (Z)-4-oxidanylidenepent-2-en-2-olate; titanium(4+)

Systemtic Name: butan-1-olate; (Z)-4-oxidanylidenepent-2-en-2-olate; titanium(4+) Openeye Name: butan-1-olate; (Z)-4-oxopent-2-en-2-olate; titanium(4+) CAS Name: 1-butanolate; (Z)-4-oxo-2-penten-2-olate; titanium(4+) IUPAC Name: butan-1-olate; (Z)-4-oxopent-2-en-2-olate; titanium(4+) Traditional Name: butan-1-olate; (Z)-4-ketopent-2-en-2-olate; titanium(4+) Formula: C18H32O6Ti MolecularWeight: 392.31008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H8O2.2C4H9O.Ti/c2*1-4(6)3-5(2)7;2*1-2-3-4-5;/h2*3,6H,1-2H3;2*2-4H2,1H3;/q;;2*-1;+4/p-2/b2*4-3-;;;