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EC number: 403-530-4 | CAS number: 129423-54-7 PV-ECHTGELB HGR
Reference substances
- IUPAC name:
- calcium 4-chloro-5-methyl-2-{2-[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl}benzene-1-sulfonate
Inventory
- EC number:
- 403-530-4
- EC name:
- Calcium 4-chloro-2-(5-hydroxy-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylazo)-5-methylbenzenesulfonate
- CAS number:
- -
- Description:
- PV-ECHTGELB HGR
- CAS number:
- 129423-54-7
Synonyms
- Names:
- Identifier:
- IUPAC name
- Calcium 4-chloro-2-(5-hydroxy-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylazo)-5-methylbenzenesulfonate
- Identifier:
- IUPAC name
- calcium 4-chloro-2-(5-hydroxy-3-methyl-1-(3-sulfonatophenyl) pyrazol-4-ylazo) -5-methylbenzenesulfonate
- Identifier:
- IUPAC name
- calcium 4-chloro-2-(5-hydroxy-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylazo)-5-methylbenzenesulfonate
- Identifier:
- IUPAC name
- calcium 4-chloro-2-(5-hydroxy-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-ylazo)-5-methylbenzenesulfonate
- Identifier:
- IUPAC name
- calcium 4-chloro-5-methyl-2-{2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl}benzene-1-sulfonate
- Identifier:
- IUPAC name
- calcium 4-chloro-5-methyl-2-{2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1Hpyrazol-4-yl]diazen-1-yl}benzene-1-sulfonate
- Identifier:
- other: InChl
- InChI=1/C17H15ClN4O7S2.Ca/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11) 30(24,25)26;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+;
- Identifier:
- other: SMILES notation
- [Ca+2].[O-]S(=O)(=O)c3cc(C)c(Cl)cc3/N=N/C2C(\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O
- Identifier:
- other: Molecular formula
- C17H13ClN4O7S2Ca
- Identifier:
- other: Molecular formula
- C17H15ClN4O7S2.Ca
- Identifier:
- other: InChl
- InChI=1/C17H15ClN4O7S2.Ca/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11) 30(24,25)26;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+
- Identifier:
- other: InChl
- InChI=1/C17H15ClN4O7S2.Ca/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11) 30(24,25)26;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+;
- Identifier:
- other: SMILES notation
- [Ca+2].[O-]S(=O)(=O)c3cc(C)c(Cl)cc3/N=N/c1c(O)n(nc1C)c2cc(ccc2)S([O-])(=O)=O
- calcium 4-chloro-5-methyl-2-{2-[3-methyl-5-oxo-1-(3-sulfonatophenyl) -4,5-dihydro-1H-pyrazol-4-yl]diazen1-yl}benzene-1-sulfonate
Molecular and structural information
- Molecular formula:
- C17H13CaClN4O7S2
- Molecular weight:
- ca. 524.97
- SMILES notation:
- [Ca+2].[O-]S(=O)(=O)c3cc(C)c(Cl)cc3/N=N/C2C(\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O
- InChl:
- InChI=1/C17H15ClN4O7S2.Ca/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11) 30(24,25)26;/h3-8,16H,1-2H3,(H,24,25,26) (H,27,28,29);/q;+2/p-2/b20-19+;
- Structural formula:
Related substances
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