Search Result : Detailed Informations
Low Mol Weight Allergen Name Acid Red 118
CAS# 12217-35-5
CID 5489910

Structure Other Information
Canonical SMILES CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)C
Iso SMILES CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)C
InChI InChI=1S/C25H24N4O6S2/c1-3-29(19-7-5-4-6-8-19)36(31,32)23-14-18(11-9-16(23)2)27-28-25-21(26)12-10-17-13-20(37(33,34)35)15-22(30)24(17)25/h4-15,26-28H,3H2,1-2H3,(H,33,34,35)
InChI Key IJTZAHBLTLAIRX-UHFFFAOYSA-N
Formula C25H24N4O6S2
Mol Weight 540.611
XlogP3 3.5
Charge 0
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Synonyms Information
CAS Name 5-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonic acid
IUPAC Name 5-[2-[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonic acid
Openeye Name 5-[2-[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid
Systematic Name 6-azanylidene-5-[2-[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid
Tratitional Name 6-azanylidene-5-[2-[3-[ethyl(phenyl)sulfamoyl]-4-methyl-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid

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