Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Reactive violet 5 12226-38-9 44152315

Structure Other Information
Canonical SMILES CC(=O)NC1=CC(=CC2C1C(=O)C(=NNC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])O)C(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu]
Iso SMILES CC(=O)NC1=CC(=CC2C1C(=O)/C(=N/NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])O)/C(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu]
InChI InChI=1S/C20H21N3O15S4.Cu.3Na/c1-10(24)21-15-8-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-3-2-12(9-16(14)25)39(27,28)5-4-38-42(35,36)37;;;;/h2-3,6-9,11,18,22,25H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;;3*+1/p-3/b23-19+;;;;
InChI Key BBDFESXRSXNVDV-SUJVMRPTSA-K
Formula C20H18CuN3Na3O15S4
Mol Weight 801.143
XlogP3 0
Charge 0

Click structure image, you can go to pubchem link...


Synonyms Information
CAS Name trisodium; (3Z)-5-acetamido-3-[[2-hydroxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-4a,8a-dihydronaphthalene-2,7-disulfonate; copper
IUPAC Name trisodium; (3Z)-5-acetamido-3-[[2-hydroxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-4a,8a-dihydronaphthalene-2,7-disulfonate; copper
Openeye Name trisodium; (3Z)-5-acetamido-3-[[2-hydroxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-4a,8a-dihydronaphthalene-2,7-disulfonate; copper
Systematic Name trisodium; (3Z)-5-acetamido-4-oxidanylidene-3-[[2-oxidanyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4a,8a-dihydronaphthalene-2,7-disulfonate; copper
Tratitional Name trisodium; (3Z)-5-acetamido-4-oxidanylidene-3-[[2-oxidanyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4a,8a-dihydronaphthalene-2,7-disulfonate; copper