methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+)

Systemtic Name: methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) Openeye Name: methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) CAS Name: methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) IUPAC Name: methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) Traditional Name: methanolate; phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) Formula: C17H25O3Ti MolecularWeight: 325.2456

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=C(C(=C1C)C)C.C[O-].C[O-].C1=CC=C(C=C1)O.[Ti+3]

Isomeric SMILES

CC1[C-]=C(C(=C1C)C)C.C[O-].C[O-].C1=CC=C(C=C1)O.[Ti+3]

InChI

InChI=1S/C9H13.C6H6O.2CH3O.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;2*1-2;/h6H,1-4H3;1-5,7H;2*1H3;/q-1;;2*-1;+3