Variclene
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Product Description
Product
Variclene
CAS
95646-62-1
Formula
C57H72N4O7S
Synonym
2-hydroxypropanoic acid; sulfate, Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, sulfate (1:1), mixt. with 2-hydroxypropanoic acid; Variclene, 95646-62-1, [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Typical Product Specifications
SMILES
[N+](\CC)(CC)=C1\C=C\C(C=C1)=C(\c1ccccc1)c1ccc(cc1)N(CC)CC.[N+](\CC)(CC)=C1\C=C\C(C=C1)=C(\c1ccccc1)c1ccc(cc1)N(CC)CC.S(=O)(=O)([O-])[O-].C([C@@H](C)O)(=O)O
InChI
PXHSBLDLVFPZIA-UHFFFAOYSA-L
InChIKey
1S/2C27H33N2.C3H6O3.H2O4S/c2*1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-2(4)3(5)6;1-5(2,3)4/h2*9-21H,5-8H2,1-4H3;2,4H,1H3,(H,5,6);(H2,1,2,3,4)/q2*+1;;/p-2
Class
Variclene
Product Description
Product
Variclene
CAS
95646-62-1
Formula
C57H72N4O7S
Synonym
2-hydroxypropanoic acid; sulfate, Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, sulfate (1:1), mixt. with 2-hydroxypropanoic acid; Variclene, 95646-62-1, [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Typical Product Specifications
SMILES
[N+](\CC)(CC)=C1\C=C\C(C=C1)=C(\c1ccccc1)c1ccc(cc1)N(CC)CC.[N+](\CC)(CC)=C1\C=C\C(C=C1)=C(\c1ccccc1)c1ccc(cc1)N(CC)CC.S(=O)(=O)([O-])[O-].C([C@@H](C)O)(=O)O
InChI
PXHSBLDLVFPZIA-UHFFFAOYSA-L
InChIKey
1S/2C27H33N2.C3H6O3.H2O4S/c2*1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-2(4)3(5)6;1-5(2,3)4/h2*9-21H,5-8H2,1-4H3;2,4H,1H3,(H,5,6);(H2,1,2,3,4)/q2*+1;;/p-2
Class
