2-tert-butylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; titanium(4+)

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; titanium(4+) Openeye Name: 2-allylphenolate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+) CAS Name: 2-tert-butylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; titanium(4+) IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; titanium(4+) Traditional Name: 2-allylphenolate; 2-tert-butylcyclopenta-1,3-diene; titanium(4+) Formula: C36H40O3Ti MolecularWeight: 568.568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[C-]CC=C1.C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].[Ti+4]

Isomeric SMILES

CC(C)(C)C1=[C-]CC=C1.C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].[Ti+4]

InChI

InChI=1S/3C9H10O.C9H13.Ti/c3*1-2-5-8-6-3-4-7-9(8)10;1-9(2,3)8-6-4-5-7-8;/h3*2-4,6-7,10H,1,5H2;4,6H,5H2,1-3H3;/q;;;-1;+4/p-3