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

Systemtic Name: benzoic acid; carbanide; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) Openeye Name: benzoic acid; carbanide; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) CAS Name: benzoic acid; carbanide; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) IUPAC Name: benzoic acid; carbanide; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) Traditional Name: benzoic acid; carbanide; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium(3+) Formula: C23H31O2Ti MolecularWeight: 387.35804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C1=CC=C(C=C1)C(=O)O.[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C1=CC=C(C=C1)C(=O)O.[Ti+3]

InChI

InChI=1S/C14H19.C7H6O2.2CH3.Ti/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;8-7(9)6-4-2-1-3-5-6;;;/h6,10H,2-5,7-9H2,1H3;1-5H,(H,8,9);2*1H3;/q-1;;2*-1;+3