benzoic acid; 1,2-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium

Systemtic Name: benzoic acid; 1,2-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium Openeye Name: benzoic acid; 1,2-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium CAS Name: benzoic acid; 1,2-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium IUPAC Name: benzoic acid; 1,2-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium Traditional Name: benzoic acid; 1,2-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium Formula: C32H33O6Ti- MolecularWeight: 561.46782

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C(=CC2=C1CCCC2)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-]1C(=CC2=C1CCCC2)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/C11H15.3C7H6O2.Ti/c1-8-7-10-5-3-4-6-11(10)9(8)2;3*8-7(9)6-4-2-1-3-5-6;/h7H,3-6H2,1-2H3;3*1-5H,(H,8,9);/q-1;;;;