benzoic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium

Systemtic Name: benzoic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium Openeye Name: benzoic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium CAS Name: benzoic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium IUPAC Name: benzoic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium Traditional Name: benzoic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium Formula: C28H27O6Ti- MolecularWeight: 507.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.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

CC1=CC[C-]=C1C.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.C7H9.Ti/c3*8-7(9)6-4-2-1-3-5-6;1-6-4-3-5-7(6)2;/h3*1-5H,(H,8,9);4H,3H2,1-2H3;/q;;;-1;