cyclopenta-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropane; 2-methylpropan-2-olate; titanium(4+)

Systemtic Name: cyclopenta-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropane; 2-methylpropan-2-olate; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropane; 2-methylpropan-2-olate; titanium(4+) CAS Name: cyclopenta-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropane; 2-methyl-2-propanolate; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropane; 2-methylpropan-2-olate; titanium(4+) Traditional Name: cyclopenta-1,3-diene; (3E)-3-methylpenta-1,3-diene; 2-methylpropane; 2-methylpropan-2-olate; titanium(4+) Formula: C23H42O2Ti MolecularWeight: 398.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10.C5H5.2C4H9O.C4H9.Ti/c1-4-6(3)5-2;1-2-4-5-3-1;2*1-4(2,3)5;1-4(2)3;/h4-5H,1H2,2-3H3;1-3H,4H2;2*1-3H3;1-3H3;/q;4*-1;+4/b6-5+;;;;;