9010-85-9 Purity
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Specification
The molecular formula of cellulose triacetate is C40H54O27.
The synonyms of cellulose triacetate are triacetylcellulose and CELLULOSE TRIACETATE.
The molecular weight of cellulose triacetate is 966.8 g/mol.
Cellulose triacetate was created on November 19, 2009.
The IUPAC name of cellulose triacetate is [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate.
The InChI of cellulose triacetate is InChI=1S/C40H54O27/c1-15(41)52-12-26-29(55-18(4)44)32(56-19(5)45)36(60-23(9)49)39(64-26)67-31-28(14-54-17(3)43)65-40(37(61-24(10)50)34(31)58-21(7)47)66-30-27(13-53-16(2)42)63-38(62-25(11)51)35(59-22(8)48)33(30)57-20(6)46/h26-40H,12-14H2,1-11H3/t26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+/m1/s1.
The InChIKey of cellulose triacetate is NNLVGZFZQQXQNW-ADJNRHBOSA-N.
The canonical SMILES of cellulose triacetate is CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.
The CAS number of cellulose triacetate is 9012-09-3.