Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
C.I. 15850 / Pigment rubine / Litholrubine BK 72432-82-7, 5858-81-1 6093240
Structure Other Information
Canonical SMILES CC1=CC(=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Iso SMILES CC1=CC(=C(C=C1)N/N=C/2C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI InChI=1S/C18H14N2O6S.2Na/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,19H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2/b20-16+;;
InChI Key CTBASIXHDUUSCV-SDXCCTRSSA-L
Formula C18H12N2Na2O6S
Mol Weight 430.342
XlogP3 0
Charge 0

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

Synonyms Information
CAS Name disodium (4E)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylate
IUPAC Name disodium (4E)-4-[(4-methyl-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylate
Openeye Name disodium (4E)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate
Systematic Name disodium (4E)-4-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate
Tratitional Name disodium (4E)-4-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylate