N,N-dibutylcarbamate; 2-methyl-1H-inden-1-ide; titanium(4+)

Systemtic Name: N,N-dibutylcarbamate; 2-methyl-1H-inden-1-ide; titanium(4+) Openeye Name: N,N-dibutylcarbamate; 2-methyl-1H-inden-1-ide; titanium(4+) CAS Name: N,N-dibutylcarbamate; 2-methyl-1H-inden-1-ide; titanium(4+) IUPAC Name: N,N-dibutylcarbamate; 2-methyl-1H-inden-1-ide; titanium(4+) Traditional Name: N,N-dibutylcarbamate; 2-methyl-1H-inden-1-ide; titanium(4+) Formula: C37H63N3O6Ti MolecularWeight: 693.77962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)[O-].CCCCN(CCCC)C(=O)[O-].CCCCN(CCCC)C(=O)[O-].CC1=CC2=CC=CC=C2[CH-]1.[Ti+4]

Isomeric SMILES

CCCCN(CCCC)C(=O)[O-].CCCCN(CCCC)C(=O)[O-].CCCCN(CCCC)C(=O)[O-].CC1=CC2=CC=CC=C2[CH-]1.[Ti+4]

InChI

InChI=1S/C10H9.3C9H19NO2.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;3*1-3-5-7-10(9(11)12)8-6-4-2;/h2-7H,1H3;3*3-8H2,1-2H3,(H,11,12);/q-1;;;;+4/p-3