94275-94-2 Purity
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Specification
The molecular formula is C30H66O4Ti.
The molecular weight is 538.7 g/mol.
The IUPAC name is butan-1-ol;(E)-octadec-9-en-1-ol;titanium.
The InChI is InChI=1S/C18H36O.3C4H10O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;3*1-2-3-4-5;/h9-10,19H,2-8,11-18H2,1H3;3*5H,2-4H2,1H3;/b10-9+;;;;.
The InChIKey is KZLOFGFHHNJLRL-GWIKJDHCSA-N.
The canonical SMILES is CCCCCCCCC=CCCCCCCCCO.CCCCO.CCCCO.CCCCO.[Ti].
The isomeric SMILES is CCCCCCCC/C=C/CCCCCCCCO.CCCCO.CCCCO.CCCCO.[Ti].
The CAS number is 94275-97-5.
The EC number is 304-486-8.
The hydrogen bond donor count is 4.