(E)-octadec-9-ene; propan-2-olate; titanium(4+)

Systemtic Name: (E)-octadec-9-ene; propan-2-olate; titanium(4+) Openeye Name: (E)-octadec-9-ene; propan-2-olate; titanium(4+) CAS Name: (E)-9-octadecene; 2-propanolate; titanium(4+) IUPAC Name: (E)-octadec-9-ene; propan-2-olate; titanium(4+) Traditional Name: (E)-octadec-9-ene; propan-2-olate; titanium(4+) Formula: C42H84O2Ti MolecularWeight: 668.98216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC[CH2-].CCCCCCCCC=CCCCCCCC[CH2-].CC(C)[O-].CC(C)[O-].[Ti+4]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC[CH2-].CCCCCCCC/C=C/CCCCCCC[CH2-].CC([O-])C.CC([O-])C.[Ti+4]

InChI

InChI=1S/2C18H35.2C3H7O.Ti/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;2*1-3(2)4;/h2*17-18H,1,3-16H2,2H3;2*3H,1-2H3;/q4*-1;+4/b2*18-17+;;;