2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-
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Product Description
Product
2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-
CAS
63059-65-4
Formula
C31H35N3O8S2; C31H33N3O8S2
Typical Product Specifications
Molecular weight
641.75
EINECS
263-832-5
SMILES
C(=C1\N(c2c(cccc2)O1)CCCS(=O)(=O)O)\C=C/C1=C\C(=C2/C(=NN(C2=O)c2ccc(S(=O)(=O)O)cc2)C)CC(C1)(C)C
InChI
JEBBXXFVVHQLAN-SHTHZFBYSA-N
InChIKey
1S/C31H33N3O8S2/c1-21-29(30(35)34(32-21)24-12-14-25(15-13-24)44(39,40)41)23-18-22(19-31(2,3)20-23)8-6-11-28-33(16-7-17-43(36,37)38)26-9-4-5-10-27(26)42-28/h4-6,8-15,18H,7,16-17,19-20H2,1-3H3,(H,36,37,38)(H,39,40,41)/b8-6?,28-11?,29-23-
Class
2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-
Product Description
Product
2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-
CAS
63059-65-4
Formula
C31H35N3O8S2; C31H33N3O8S2
Typical Product Specifications
Molecular weight
641.75
EINECS
263-832-5
SMILES
C(=C1\N(c2c(cccc2)O1)CCCS(=O)(=O)O)\C=C/C1=C\C(=C2/C(=NN(C2=O)c2ccc(S(=O)(=O)O)cc2)C)CC(C1)(C)C
InChI
JEBBXXFVVHQLAN-SHTHZFBYSA-N
InChIKey
1S/C31H33N3O8S2/c1-21-29(30(35)34(32-21)24-12-14-25(15-13-24)44(39,40)41)23-18-22(19-31(2,3)20-23)8-6-11-28-33(16-7-17-43(36,37)38)26-9-4-5-10-27(26)42-28/h4-6,8-15,18H,7,16-17,19-20H2,1-3H3,(H,36,37,38)(H,39,40,41)/b8-6?,28-11?,29-23-
Class
