Octhilinone structure

Octhilinone

disodium;4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate

Also Known As: Octhilinone|ORANGE B|Acid Orange 137|C.I. Acid Orange 137|AC1NSG0D|RefChem:439020|ORANGE B [MI]|ORANGE B [MART.]|RGU455OS50|EINECS 239-201-5|CI 19235|Q7099512|1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-4-(2-(4-SULFO-1-NAPHTHALENYL)DIAZENYL)-1-(4-SULFOPHENYL)-, 3-ETHYL ESTER, SODIUM SALT (1:2)|1-(4-Sulfophenyl)-3-ethylcarboxy-4-(4-sulfonaphthylazo)-5-hydroxypyrazole disodium|Disodium 1-(4-sulfophenyl)-3-ethylcarboxy-4-(4-sulfonaphthylazo)-5-hydroxypyrazole|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-, 3-ethyl ester, disodi|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-, 3-ethyl ester, disodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-1-(4-sulfophenyl)-, 3-ethyl ester, sodium salt (1:2)|2-Pyrazoline-3-carboxylic acid, 5-oxo-4-((4-sulfo-1-naphthyl)azo)-1-(p-sulfophenyl)-, 2-ethyl ester, disodium salt|2-Pyrazoline-3-carboxylic acid, 5-oxo-4-((4-sulfo-1-naphthyl)azo)-1-(P-sulfophenyl)-, 3-ethyl ester, disodium salt|3-Ethyl 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate disodium salt|Disodium 3-ethyl 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate|Disodium 3-ethyl 4,5-dihydro-5-oxo-4-((4-sulphonato-1-naphthyl)azo)-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate|Disodium 3-ethyl 5-oxo-4-((4-sulfo-1-naphthyl)azo)-1-(p-sulfophenyl)-2-pyrazoline-3-carboxylate|disodium 4-[2-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate|Disodium 4-{(E)-[5-(ethoxycarbonyl)-3-oxo-2-(4-sulfonatophenyl)-2,3-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonate|DISODIUM SALT OF 1-(4-SULFOPHENYL)-3-ETHYLCARBOXY-4-(4-SULFONAPHTHYLAZO)-5- HYDRO-XYPYRAZOLE|disodium;4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulonatophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulonate|Ethyl 5-oxo-4-(4-sulfonaphthylazo)-1-(p-sulfophenyl)-2-pyrazoline-3-carboxylate disodium salt

CAS: 15139-76-1
Molecular Formula C22H16N4Na2O9S2
Molecular Weight 590.0154 g/mol
LogP -3.27
Topological Polar Surface Area 203.21 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 12
Rotatable Bonds 7
Exact Mass 590.0154
Heavy Atoms 39
Complexity 1833.6

Chemical Identifiers

CAS Number 15139-76-1
SMILES CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].[Na+].[Na+]

Product Overview

Octhilinone (CAS 15139-76-1), with molecular formula C22H16N4Na2O9S2 and molecular weight 590.0154 g/mol. IUPAC: disodium;4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate.

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