benzoic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydroinden-1-ide

Systemtic Name: benzoic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydroinden-1-ide Openeye Name: benzoic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydroinden-1-ide CAS Name: benzoic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydroinden-1-ide IUPAC Name: benzoic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydroinden-1-ide Traditional Name: benzoic acid; titanium; 1,2,3-trimethyl-4,5,6,7-tetrahydroinden-1-ide Formula: C33H35O6Ti- MolecularWeight: 575.4944

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C(=C(C2=C1CCCC2)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-]1C(=C(C2=C1CCCC2)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/C12H17.3C7H6O2.Ti/c1-8-9(2)11-6-4-5-7-12(11)10(8)3;3*8-7(9)6-4-2-1-3-5-6;/h4-7H2,1-3H3;3*1-5H,(H,8,9);/q-1;;;;