butane; 3H-cyclopenta[a]naphthalen-3-ide; hexane; titanium(3+)

Systemtic Name: butane; 3H-cyclopenta[a]naphthalen-3-ide; hexane; titanium(3+) Openeye Name: butane; 3H-cyclopenta[a]naphthalen-3-ide; hexane; titanium(3+) CAS Name: butane; 3H-cyclopenta[a]naphthalen-3-ide; hexane; titanium(3+) IUPAC Name: butane; 3H-cyclopenta[a]naphthalen-3-ide; hexane; titanium(3+) Traditional Name: 3H-benz[e]inden-3-ide; butane; n-hexane; titanium(3+) Formula: C27H41Ti MolecularWeight: 413.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCCCCC.[CH-]1C=CC2=C1C=CC3=CC=CC=C32.[Ti+3]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCCCCC.[CH-]1C=CC2=C1C=CC3=CC=CC=C32.[Ti+3]

InChI

InChI=1S/C13H9.C6H14.2C4H9.Ti/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-3-5-6-4-2;2*1-3-4-2;/h1-9H;3-6H2,1-2H3;2*1,3-4H2,2H3;/q-1;;2*-1;+3