Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Disperse blue 85 3177-13-7 76642
Structure Other Information
Canonical SMILES C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])NCCO
Iso SMILES C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])NCCO
InChI InChI=1S/C18H14ClN5O5/c19-14-9-11(23(26)27)10-17(24(28)29)18(14)22-21-16-6-5-15(20-7-8-25)12-3-1-2-4-13(12)16/h1-6,9-10,20,25H,7-8H2
InChI Key DQMYXIPCBKSDCB-UHFFFAOYSA-N
Formula C18H14ClN5O5
Mol Weight 415.8
XlogP3 4.5
Charge 0

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Synonyms Information
CAS Name 2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol
IUPAC Name 2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol
Openeye Name 2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol
Systematic Name 2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol
Tratitional Name 2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol