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67786-14-5

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Basic Information
CAS No.: 67786-14-5
Name: sodium 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]naphthalene-2-sulphonate
Molecular Structure:
Molecular Structure of 67786-14-5 (sodium 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]naphthalene-2-sulphonate)
Formula: C17H11F3N3NaO4S
Molecular Weight: 433.3369196
Synonyms: Nylanthrene Red GN;
EINECS: 267-090-3
PSA: 136.55000
LogP: 6.12790
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Specification

The 2-Naphthalenesulfonic acid,6-amino-4-hydroxy-5-[[2-(trifluoromethyl) phenyl]azo]-,monosodium salt is an organic compound with the formula C17H11F3N3NaO4S. The IUPAC name of this chemical is sodium 6-imino-4-oxo-5-[2-[2-(trifluoromethyl)phenyl]hydrazinyl]naphthalene-2-sulfonate. With the CAS registry number 67786-14-5, it is also named as sodium 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]naphthalene-2-sulphonate. The product's category is Organics.

Physical properties about 2-Naphthalenesulfonic acid,6-amino-4-hydroxy-5-[[2-(trifluoromethyl) phenyl]azo]-,monosodium salt are: (1)#H bond acceptors: 7; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 136.55 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].FC(F)(F)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O
(2)InChI: InChI=1/C17H12F3N3O4S.Na/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16;/h1-8,24H,21H2,(H,25,26,27);/q;+1/p-1
(3)InChIKey: ZJKLNUHASXGERK-REWHXWOFAY
(4)Std. InChI: InChI=1S/C17H12F3N3O4S.Na/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16;/h1-8,24H,21H2,(H,25,26,27);/q;+1/p-1
(5)Std. InChIKey: ZJKLNUHASXGERK-UHFFFAOYSA-M