Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Nigrosin / C.I. 50415 8005-03-6 44134531

Structure Other Information
Canonical SMILES C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Iso SMILES C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI InChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,24H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2
InChI Key HKBVRFLHNUEVRO-UHFFFAOYSA-L
Formula C22H14N6Na2O9S2
Mol Weight 616.491
XlogP3 0
Charge 0

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


Synonyms Information
CAS Name disodium 4-amino-3-(4-nitrophenyl)azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
IUPAC Name disodium 4-amino-3-(4-nitrophenyl)azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate
Openeye Name disodium 4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
Systematic Name disodium 4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
Tratitional Name disodium 4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate