dodecane; 7-methyloctylbenzene; titanium(4+)

Systemtic Name: dodecane; 7-methyloctylbenzene; titanium(4+) Openeye Name: dodecane; 7-methyloctylbenzene; titanium(4+) CAS Name: dodecane; 7-methyloctylbenzene; titanium(4+) IUPAC Name: dodecane; 7-methyloctylbenzene; titanium(4+) Traditional Name: dodecane; 7-methyloctylbenzene; titanium(4+) Formula: C57H94Ti MolecularWeight: 827.22326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].CC(C)CCCCCCC1=CC=CC=[C-]1.CC(C)CCCCCCC1=CC=CC=[C-]1.CC(C)CCCCCCC1=CC=CC=[C-]1.[Ti+4]

Isomeric SMILES

CCCCCCCCCCC[CH2-].CC(C)CCCCCCC1=CC=CC=[C-]1.CC(C)CCCCCCC1=CC=CC=[C-]1.CC(C)CCCCCCC1=CC=CC=[C-]1.[Ti+4]

InChI

InChI=1S/3C15H23.C12H25.Ti/c3*1-14(2)10-6-3-4-7-11-15-12-8-5-9-13-15;1-3-5-7-9-11-12-10-8-6-4-2;/h3*5,8-9,12,14H,3-4,6-7,10-11H2,1-2H3;1,3-12H2,2H3;/q4*-1;+4