Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Disperse blue 124 61951-51-7, 15141-18-1 84802
Structure Other Information
Canonical SMILES CCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C
Iso SMILES CCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C
InChI InChI=1S/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3
InChI Key HMAJVAFLGGPIPN-UHFFFAOYSA-N
Formula C16H19N5O4S
Mol Weight 377.418
XlogP3 4
Charge 0

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Synonyms Information
CAS Name acetic acid 2-[N-ethyl-3-methyl-4-[(5-nitro-2-thiazolyl)azo]anilino]ethyl ester
IUPAC Name 2-[N-ethyl-3-methyl-4-(5-nitrothiazol-2-yl)azo-anilino]ethyl acetate
Openeye Name 2-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethyl acetate
Systematic Name 2-[ethyl-[3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]amino]ethyl ethanoate
Tratitional Name 2-[ethyl-[3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]amino]ethyl ethanoate