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61931-83-7

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Basic Information
CAS No.: 61931-83-7
Name: sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
Molecular Structure:
Molecular Structure of 61931-83-7 (sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate)
Formula: C17H14N5NaO7S
Molecular Weight: 455.3771
Synonyms: sodium 4-[3-methyl-4-[(2Z)-2-(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate;Sodium p-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate;Benzenesulfonic acid,4-[4,5-dihydro-4-[(2- hydroxy-5-methyl-3-nitrophenyl)azo]-3- methyl-5-oxo-1H-pyrazol-1-yl]-,monosodium salt;Benzenesulfonic acid, 4-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, monosodium salt;Eriochrome Red G;
EINECS: 263-340-0
PSA: 185.53000
LogP: 1.81250
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Specification

The Sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate is an organic compound with the formula C17H14N5NaO7S. The IUPAC name of this chemical is sodium 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate. With the CAS registry number 61931-83-7, it is also named as Benzenesulfonic acid, 4-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, monosodium salt.  

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 10; (3)Rotatable Bond Count: 3; (4)Tautomer Count: 11; (5)Exact Mass: 455.051163; (6)MonoIsotopic Mass: 455.051163; (7)Topological Polar Surface Area: 186; (8)Heavy Atom Count: 31; (9)Formal Charge: 0; (10)Complexity: 995; (11)Undefined Atom StereoCenter Count: 1; (12)Defined Bond StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure. 
1. SMILES:[Na+].[O-][N+](=O)c3cc(C)cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c3O
2. InChI:InChI=1/C17H15N5O7S.Na/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29;/h3-8,15,23H,1-2H3,(H,27,28,29);/q;+1/p-1