4-fluoranylbenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride

Systemtic Name: 4-fluoranylbenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride Openeye Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride CAS Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride IUPAC Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride Traditional Name: 4-fluorobenzoic acid; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride Formula: C42H48Cl2F2O4Ti2-4 MolecularWeight: 821.464926

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCCC2)C3=C1[CH-]CCC3.CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.[Cl-].[Cl-].[Ti].[Ti]

Isomeric SMILES

CC1C2=C(CCCC2)C3=C1[CH-]CCC3.CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C1=CC(=CC=C1C(=O)O)F.C1=CC(=CC=C1C(=O)O)F.[Cl-].[Cl-].[Ti].[Ti]

InChI

InChI=1S/2C14H19.2C7H5FO2.2ClH.2Ti/c2*1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;2*8-6-3-1-5(2-4-6)7(9)10;;;;/h2*6,10H,2-5,7-9H2,1H3;2*1-4H,(H,9,10);2*1H;;/q2*-1;;;;;;/p-2