cyclopenta-1,3-diene; methane; 2-phenylphenol; titanium(3+); diphenoxide

Systemtic Name: cyclopenta-1,3-diene; methane; 2-phenylphenol; titanium(3+); diphenoxide Openeye Name: cyclopenta-1,3-diene; methane; 2-phenylphenol; titanium(3+); diphenoxide CAS Name: cyclopenta-1,3-diene; methane; 2-phenylphenol; titanium(3+); diphenoxide IUPAC Name: cyclopenta-1,3-diene; methane; 2-phenylphenol; titanium(3+); diphenoxide Traditional Name: cyclopenta-1,3-diene; methane; 2-phenylphenol; titanium(3+); diphenoxide Formula: C30H29O3Ti MolecularWeight: 485.41646

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH-]1C=CC=C1.C1=CC=C(C=C1)C2=CC=CC=C2O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+3]

Isomeric SMILES

C.[CH-]1C=CC=C1.C1=CC=C(C=C1)C2=CC=CC=C2O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+3]

InChI

InChI=1S/C12H10O.2C6H6O.C5H5.CH4.Ti/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;;/h1-9,13H;2*1-5,7H;1-5H;1H4;/q;;;-1;;+3/p-2