Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
FD&C Red No.7 / Pigment rubine / Litholrubine BK 5281-04-9 9571018
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-].[Ca+2]
Iso SMILES CC1=CC(=C(C=C1)N/N=C2/C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]
InChI InChI=1S/C18H14N2O6S.Ca/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/p-2/b20-16-;
InChI Key WANIKCLUTOABTP-LRZQPWDCSA-L
Formula C18H12CaN2O6S
Mol Weight 424.441
XlogP3 0
Charge 0

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