2,2-dimethylpropan-1-ol; phenylmethanediol; titanium; hexahydrate

Systemtic Name: 2,2-dimethylpropan-1-ol; phenylmethanediol; titanium; hexahydrate Openeye Name: 2,2-dimethylpropan-1-ol; phenylmethanediol; titanium; hexahydrate CAS Name: 2,2-dimethyl-1-propanol; phenylmethanediol; titanium; hexahydrate IUPAC Name: 2,2-dimethylpropan-1-ol; phenylmethanediol; titanium; hexahydrate Traditional Name: 2,2-dimethylpropan-1-ol; phenylmethanediol; titanium; hexahydrate Formula: C72H132O24Ti6 MolecularWeight: 1669.00608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.O.O.O.O.O.O.[Ti].[Ti].[Ti].[Ti].[Ti].[Ti]

Isomeric SMILES

CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.O.O.O.O.O.O.[Ti].[Ti].[Ti].[Ti].[Ti].[Ti]

InChI

InChI=1S/6C7H8O2.6C5H12O.6H2O.6Ti/c6*8-7(9)6-4-2-1-3-5-6;6*1-5(2,3)4-6;;;;;;;;;;;;/h6*1-5,7-9H;6*6H,4H2,1-3H3;6*1H2;;;;;;