2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate
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Product Description
Product
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS
63123-20-6
Formula
C27H29NO5S; C20H22NO2.C7H7O3S
Synonym
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate; Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-3-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1); Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1); EINECS 263-869-7
Typical Product Specifications
Molecular weight
479.59
EINECS
263-869-7
SMILES
c1([n+](C)c2c(o1)ccc(c2)c1ccccc1)\C=C(\OCC)CC.c1cc(ccc1C)S(=O)(=O)[O-]
InChI
DGWMOZHMDMZOJW-KLSJZZFUSA-M
InChIKey
1S/C20H22NO2.C7H8O3S/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b17-14+;
Class
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate
Product Description
Product
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate
CAS
63123-20-6
Formula
C27H29NO5S; C20H22NO2.C7H7O3S
Synonym
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate; Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-3-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1); Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1); EINECS 263-869-7
Typical Product Specifications
Molecular weight
479.59
EINECS
263-869-7
SMILES
c1([n+](C)c2c(o1)ccc(c2)c1ccccc1)\C=C(\OCC)CC.c1cc(ccc1C)S(=O)(=O)[O-]
InChI
DGWMOZHMDMZOJW-KLSJZZFUSA-M
InChIKey
1S/C20H22NO2.C7H8O3S/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b17-14+;
Class
