Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
TETRASODIUM (3Z)-5-AMINO-4-OXO-6-[4-(2-SULFONATOOXYETHYLSULFONYL)PHENYL]DIAZENYL-3-[[4-(2-SULFONATOOXYETHYLSULFONYL)PHENYL]HYDRAZINYLIDENE]NAPHTHALENE-2,7-DISULFONATE 90598-98-4 9570329

Structure Other Information
Canonical SMILES C1=CC(=CC=C1NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Iso SMILES C1=CC(=CC=C1N/N=C2/C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,29H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28?,31-25-;;;;
InChI Key FWKNDLPEBIXZRV-FXJKTVKKSA-J
Formula C26H21N5Na4O19S6
Mol Weight 991.816
XlogP3 0
Charge 0

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Synonyms Information
CAS Name tetrasodium (6E)-4-amino-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate
IUPAC Name tetrasodium (6E)-4-amino-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate
Openeye Name tetrasodium (6E)-4-amino-5-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate
Systematic Name tetrasodium (6E)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate
Tratitional Name tetrasodium (6E)-4-azanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonate