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12269-96-4

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Basic Information
CAS No.: 12269-96-4
Name: Acid orange 127
Molecular Structure:
Molecular Structure of 12269-96-4 (Acid orange 127)
Formula: C24H19N4NaO4S
Molecular Weight: 482.4868
Synonyms: Acid Orange 127
EINECS: 276-826-2
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Specification

The Acid orange 127, with CAS registry number 12269-96-4, has the systematic name of sodium 3-[(E)-{4-[(E)-(4-ethoxyphenyl)diazenyl]naphthalen-1-yl}diazenyl]benzenesulfonate. Besides this, it is also called Sodium 3-((4-((4-ethoxyphenyl)azo)-1-naphthyl)azo)benzenesulphonate. And the chemical formula of this chemical is C24H19N4NaO4S. What's more, its EINECS is 276-826-2.

Physical properties of Acid orange 127: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 121.42 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c4cccc(/N=N/c3c1c(cccc1)c(/N=N/c2ccc(OCC)cc2)cc3)c4
(2)InChI: InChI=1/C24H20N4O4S.Na/c1-2-32-19-12-10-17(11-13-19)25-27-23-14-15-24(22-9-4-3-8-21(22)23)28-26-18-6-5-7-20(16-18)33(29,30)31;/h3-16H,2H2,1H3,(H,29,30,31);/q;+1/p-1/b27-25+,28-26+
(3)InChIKey: FTYDFSDLKHVWLD-LGUXZNNPBW
(4)Std. InChI: InChI=1S/C24H20N4O4S.Na/c1-2-32-19-12-10-17(11-13-19)25-27-23-14-15-24(22-9-4-3-8-21(22)23)28-26-18-6-5-7-20(16-18)33(29,30)31;/h3-16H,2H2,1H3,(H,29,30,31);/q;+1/p-1/b27-25+,28-26+
(5)Std. InChIKey: FTYDFSDLKHVWLD-GKSBCSGRSA-M