carbanide; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(2+); 2,2,2-triphenylethanoic acid

Systemtic Name: carbanide; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(2+); 2,2,2-triphenylethanoic acid Openeye Name: carbanide; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(2+); 2,2,2-triphenylacetic acid CAS Name: carbanide; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(2+); 2,2,2-triphenylacetic acid IUPAC Name: carbanide; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(2+); 2,2,2-triphenylacetic acid Traditional Name: carbanide; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(2+); 2,2,2-triphenylacetic acid Formula: C54H52O4Ti MolecularWeight: 812.85528

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].C1CCC2=C(C1)CC3=C2CCC[CH-]3.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.[Ti+2]

Isomeric SMILES

[CH3-].C1CCC2=C(C1)CC3=C2CCC[CH-]3.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.[Ti+2]

InChI

InChI=1S/2C20H16O2.C13H17.CH3.Ti/c2*21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h2*1-15H,(H,21,22);5H,1-4,6-9H2;1H3;/q;;2*-1;+2