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butan-1-olate; pentane-2,4-diolate; titanium(4+)

butan-1-olate; pentane-2,4-diolate; titanium(4+)

Systemtic Name:butan-1-olate; pentane-2,4-diolate; titanium(4+)
Openeye Name:butan-1-olate; pentane-2,4-diolate; titanium(4+)
CAS Name:1-butanolate; pentane-2,4-diolate; titanium(4+)
IUPAC Name:butan-1-olate; pentane-2,4-diolate; titanium(4+)
Traditional Name:butan-1-olate; pentane-2,4-diolate; titanium(4+)
Formula: C56H116O20Ti5
MolecularWeight: 1348.84324
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/8C5H10O2.4C4H9O.5Ti/c8*1-4(6)3-5(2)7;4*1-2-3-4-5;;;;;/h8*4-5H,3H2,1-2H3;4*2-4H2,1H3;;;;;/q8*-2;4*-1;5*+4


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