butan-1-ol; 2-methylpentane-2,4-diol; titanium; hydrate

Systemtic Name: butan-1-ol; 2-methylpentane-2,4-diol; titanium; hydrate Openeye Name: butan-1-ol; 2-methylpentane-2,4-diol; titanium; hydrate CAS Name: 1-butanol; 2-methylpentane-2,4-diol; titanium; hydrate IUPAC Name: butan-1-ol; 2-methylpentane-2,4-diol; titanium; hydrate Traditional Name: butan-1-ol; 2-methylpentane-2,4-diol; titanium; hydrate Formula: C20H50O7Ti2 MolecularWeight: 498.3408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CC(CC(C)(C)O)O.CC(CC(C)(C)O)O.O.[Ti].[Ti]

Isomeric SMILES

CCCCO.CCCCO.CC(CC(C)(C)O)O.CC(CC(C)(C)O)O.O.[Ti].[Ti]

InChI

InChI=1S/2C6H14O2.2C4H10O.H2O.2Ti/c2*1-5(7)4-6(2,3)8;2*1-2-3-4-5;;;/h2*5,7-8H,4H2,1-3H3;2*5H,2-4H2,1H3;1H2;;