1-oxidaniumylidene-2-oxidanyl-propan-1-olate; 2-oxidanylpropylideneoxidanium; titanium; dihydrate

Systemtic Name: 1-oxidaniumylidene-2-oxidanyl-propan-1-olate; 2-oxidanylpropylideneoxidanium; titanium; dihydrate Openeye Name: 2-hydroxy-1-oxoniumylidene-propan-1-olate; 2-hydroxypropylideneoxonium; titanium; dihydrate CAS Name: 2-hydroxy-1-oxoniumylidene-1-propanolate; 2-hydroxypropylideneoxonium; titanium; dihydrate IUPAC Name: 2-hydroxy-1-oxoniumylidenepropan-1-olate; 2-hydroxypropylideneoxidanium; titanium; dihydrate Traditional Name: 2-hydroxy-1-oxoniumylidene-propan-1-olate; 2-hydroxypropylideneoxonium; titanium; dihydrate Formula: C6H17O7Ti+ MolecularWeight: 249.06198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H6O3.C3H6O2.2H2O.Ti/c1-2(4)3(5)6;1-3(5)2-4;;;/h2,4H,1H3,(H,5,6);2-3,5H,1H3;2*1H2;/p+1