benzoic acid; cyclopenta-1,3-diene; titanium

Systemtic Name: benzoic acid; cyclopenta-1,3-diene; titanium Openeye Name: benzoic acid; cyclopenta-1,3-diene; titanium CAS Name: benzoic acid; cyclopenta-1,3-diene; titanium IUPAC Name: benzoic acid; cyclopenta-1,3-diene; titanium Traditional Name: benzoic acid; cyclopenta-1,3-diene; titanium Formula: C26H23O6Ti- MolecularWeight: 479.32422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Ti]

Isomeric SMILES

C1C=CC=[C-]1.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Ti]

InChI

InChI=1S/3C7H6O2.C5H5.Ti/c3*8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;/h3*1-5H,(H,8,9);1-3H,4H2;/q;;;-1;