cyclopenta-1,3-diene; methanolate; (3E)-3-methylpenta-1,3-diene; titanium(4+)

Systemtic Name: cyclopenta-1,3-diene; methanolate; (3E)-3-methylpenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; methanolate; (3E)-3-methylpenta-1,3-diene; titanium(4+) CAS Name: cyclopenta-1,3-diene; methanolate; (3E)-3-methylpenta-1,3-diene; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; methanolate; (3E)-3-methylpenta-1,3-diene; titanium(4+) Traditional Name: cyclopenta-1,3-diene; methanolate; (3E)-3-methylpenta-1,3-diene; titanium(4+) Formula: C26H44O3Ti MolecularWeight: 452.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C=C.CC=C(C)C=C.CC=C(C)C=C.C[O-].C[O-].C[O-].C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

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

InChI

InChI=1S/3C6H10.C5H5.3CH3O.Ti/c3*1-4-6(3)5-2;1-2-4-5-3-1;3*1-2;/h3*4-5H,1H2,2-3H3;1-3H,4H2;3*1H3;/q;;;4*-1;+4/b3*6-5+;;;;;