benzoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium

Systemtic Name: benzoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium Openeye Name: benzoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium CAS Name: benzoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium IUPAC Name: benzoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium Traditional Name: benzoic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium Formula: C31H33O6Ti- MolecularWeight: 549.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.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=[C-]C(C(=C1C)C)(C)C.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/C10H15.3C7H6O2.Ti/c1-7-6-10(4,5)9(3)8(7)2;3*8-7(9)6-4-2-1-3-5-6;/h1-5H3;3*1-5H,(H,8,9);/q-1;;;;