phenylmethanediol; propan-1-ol; titanium; tetrahydrate

Systemtic Name: phenylmethanediol; propan-1-ol; titanium; tetrahydrate Openeye Name: phenylmethanediol; propan-1-ol; titanium; tetrahydrate CAS Name: phenylmethanediol; 1-propanol; titanium; tetrahydrate IUPAC Name: phenylmethanediol; propan-1-ol; titanium; tetrahydrate Traditional Name: phenylmethanediol; propan-1-ol; titanium; tetrahydrate Formula: C80H136O28Ti6 MolecularWeight: 1833.12104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/8C7H8O2.8C3H8O.4H2O.6Ti/c8*8-7(9)6-4-2-1-3-5-6;8*1-2-3-4;;;;;;;;;;/h8*1-5,7-9H;8*4H,2-3H2,1H3;4*1H2;;;;;;