CAS No.168021-79-2,1,3-BENZENEDISULFONIC ACID, 4-[[(1,1-DIMETHYLETHYL)OXIDOIMINO]METHYL]-,DISODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	168021-79-2
Name:	1,3-BENZENEDISULFONIC ACID, 4-[[(1,1-DIMETHYLETHYL)OXIDOIMINO]METHYL]-,DISODIUM SALT

Formula:	C₁₁H₁₅NO₇S₂.2Na
Molecular Weight:	381.333
Synonyms:	1,3-Benzenedisulfonicacid, 4-[[(1,1-dimethylethyl)imino]methyl]-, N-oxide, disodium salt;1,3-Benzenedisulfonic acid, 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-,disodium salt (9CI);ARL 16556;CPI 22;CXY 059;Cerovive;NXY 059;
Melting Point:	>300 °C
PSA:	159.91000
LogP:	2.90730

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Chemistry

Product Name: Disufenton sodium (CAS NO.168021-79-2)

Molecular Formula: C₁₁H₁₃NNa₂O₇S₂
Molecular Weight: 381.333g/mol
Mol File: 168021-79-2.mol
H-Bond Donor: 0
H-Bond Acceptor: 7
Structure Descriptors of Disufenton sodium (CAS NO.168021-79-2):
IUPAC Name: disodium4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
Canonical SMILES: CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+]
Isomeric SMILES: CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+].[Na+]
InChI: InChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;
InChIKey: XLZOVRYBVCMCGL-BPNVQINPSA-L

Specification

Disufenton sodium , its CAS NO. is 168021-79-2, the synonyms are 1,3-Benzenedisulfonic acid, 4-(((1,1-dimethylethyl)oxidoimino)methyl)-, disodium salt ; ARL 16556 ; CPI 22 ; NXY-059 ; Disodium (tert-butylimino)methyl)benzene-1,3-disulfonate N-oxide ; Disodium 4-(((1,1-dimethylethyl)imino)methyl)benzene-1,3-disulfonate N-oxide ; Disodium 4-tert-butyliminomethyl)benzene-,3-disulfonate N-oxide ; NXY-059 ; UNII-7M1J3HN9VO .