Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Brilliant green 633-03-4 12449
Structure Other Information
Canonical SMILES CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]
Iso SMILES CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]
InChI InChI=1S/C27H33N2.H2O4S/c1-5-28(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;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key NNBFNNNWANBMTI-UHFFFAOYSA-M
Formula C27H34N2O4S
Mol Weight 482.635
XlogP3 0
Charge 0

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Synonyms Information
CAS Name [4-[[4-(diethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium; hydrogen sulfate
IUPAC Name [4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium; hydrogen sulfate
Openeye Name [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium; hydrogen sulfate
Systematic Name [4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium; hydrogen sulfate
Tratitional Name [4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium; hydrogen sulfate