cyclopenta-1,3-diene; ethanolate; methylbenzene; titanium(3+)

Systemtic Name: cyclopenta-1,3-diene; ethanolate; methylbenzene; titanium(3+) Openeye Name: cyclopenta-1,3-diene; ethanolate; methylbenzene; titanium(3+) CAS Name: cyclopenta-1,3-diene; ethanolate; methylbenzene; titanium(3+) IUPAC Name: cyclopenta-1,3-diene; ethanolate; methylbenzene; titanium(3+) Traditional Name: cyclopenta-1,3-diene; ethanolate; methylbenzene; titanium(3+) Formula: C18H27O3Ti-2 MolecularWeight: 339.27218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].CC[O-].CC1=CC=[C-]C=C1.C1C=CC=[C-]1.[Ti+3]

Isomeric SMILES

CC[O-].CC[O-].CC[O-].CC1=CC=[C-]C=C1.C1C=CC=[C-]1.[Ti+3]

InChI

InChI=1S/C7H7.C5H5.3C2H5O.Ti/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;3*1-2-3;/h3-6H,1H3;1-3H,4H2;3*2H2,1H3;/q5*-1;+3