benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; titanium

Systemtic Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; titanium Openeye Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; titanium CAS Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; titanium IUPAC Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; titanium Traditional Name: benzoic acid; 1,2,3,4,5-pentamethylcyclopentane; titanium Formula: C31H33O6Ti MolecularWeight: 549.45712

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)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

C[C]1[C]([C]([C]([C]1C)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/c1-6-7(2)9(4)10(5)8(6)3;3*8-7(9)6-4-2-1-3-5-6;/h1-5H3;3*1-5H,(H,8,9);