(E)-5,6-dibutyldocos-13-en-5-ol; titanium

Systemtic Name: (E)-5,6-dibutyldocos-13-en-5-ol; titanium Openeye Name: (E)-5,6-dibutyldocos-13-en-5-ol; titanium CAS Name: (E)-5,6-dibutyl-13-docosen-5-ol; titanium IUPAC Name: (E)-5,6-dibutyldocos-13-en-5-ol; titanium Traditional Name: (E)-5,6-dibutyldocos-13-en-5-ol; titanium Formula: C120H240O4Ti MolecularWeight: 1795.0542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCCC)C(CCCC)(CCCC)O.CCCCCCCCC=CCCCCCCC(CCCC)C(CCCC)(CCCC)O.CCCCCCCCC=CCCCCCCC(CCCC)C(CCCC)(CCCC)O.CCCCCCCCC=CCCCCCCC(CCCC)C(CCCC)(CCCC)O.[Ti]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C(O)(CCCC)CCCC)CCCC.CCCCCCCC/C=C/CCCCCCC(C(O)(CCCC)CCCC)CCCC.CCCCCCCC/C=C/CCCCCCC(C(O)(CCCC)CCCC)CCCC.CCCCCCCC/C=C/CCCCCCC(C(O)(CCCC)CCCC)CCCC.[Ti]

InChI

InChI=1S/4C30H60O.Ti/c4*1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-26-29(25-10-6-2)30(31,27-11-7-3)28-12-8-4;/h4*18-19,29,31H,5-17,20-28H2,1-4H3;/b4*19-18+;