Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Reactive orange 107 90597-79-8 100934721

Structure Other Information
Canonical SMILES CC(=NC1=C(C=C(C(=C1)N)S(=O)(=O)[O-])N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)[O-].[Na+].[Na+]
Iso SMILES CC(=NC1=C(C=C(C(=C1)N)S(=O)(=O)[O-])N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)[O-].[Na+].[Na+]
InChI InChI=1S/C16H18N4O10S3.2Na/c1-10(21)18-14-8-13(17)16(32(24,25)26)9-15(14)20-19-11-2-4-12(5-3-11)31(22,23)7-6-30-33(27,28)29;;/h2-5,8-9H,6-7,17H2,1H3,(H,18,21)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChI Key VPIIHWNBJJJYOB-UHFFFAOYSA-L
Formula C16H16N4Na2O10S3
Mol Weight 566.5
XlogP3 0
Charge 0

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Synonyms Information
CAS Name disodium;N-[5-amino-4-sulfonato-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]ethanimidate
IUPAC Name disodium;N-[5-amino-4-sulfonato-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]ethanimidate
Openeye Name disodium;N-[5-amino-4-sulfonato-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]ethanimidate
Systematic Name disodium;N-[5-amino-4-sulfonato-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]ethanimidate
Tratitional Name disodium;N-[5-amino-4-sulfonato-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]ethanimidate