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41503-61-1 | 3-ETHYL-2-(2-[(3-ETHYL-5-PHENYL-2(3H)-BENZOXAZOLINYLIDENE) METHYL]-1-BUTENYL )-5-PHENYL BENZOXAZOLIUM ETHYL SULFATE
CAS No: 41503-61-1 Catalog No: AG00C7WT MDL No:
Product Description
Catalog Number:
AG00C7WT
Chemical Name:
3-ETHYL-2-(2-[(3-ETHYL-5-PHENYL-2(3H)-BENZOXAZOLINYLIDENE) METHYL]-1-BUTENYL )-5-PHENYL BENZOXAZOLIUM ETHYL SULFATE
CAS Number:
41503-61-1
IUPAC Name:
(2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole;ethyl sulfate
InChI:
InChI=1S/C35H33N2O2.C2H6O4S/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27;1-2-6-7(3,4)5/h7-24H,4-6H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
NKFYXZAIYQOJSR-UHFFFAOYSA-M
Properties
Complexity:
894
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
638.245g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
638.779g/mol
Monoisotopic Mass:
638.245g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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