RefChem:79863
disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate
Also Known As: EINECS 240-361-3|Disodium 2-(6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxoindan-5-carboxylate|1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, disodium salt|1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, sodium salt (1:2)|1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, sodium salt (1:2)|disodium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindane-5-carboxylate|Disodium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylate|disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate|1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, disodium salt|2,3-Dihydro-2-[6-[6-methyl-7-(sodiooxysulfonyl)-2-benzothiazolyl]-2-quinolinyl]-1,3-dioxo-1H-indene-5-carboxylic acid sodium salt|disodium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylate|disodium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate|Disodium2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate
| Molecular Formula | C27H14N2Na2O7S2 |
|---|---|
| Molecular Weight | 588.0038 g/mol |
| LogP | -2.74 |
| Topological Polar Surface Area | 157.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 588.0038 |
| Heavy Atoms | 40 |
| Complexity | 2005.7 |
Chemical Identifiers
| CAS Number | 16249-87-9 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
RefChem:79863 (CAS 16249-87-9), with molecular formula C27H14N2Na2O7S2 and molecular weight 588.0038 g/mol. IUPAC: disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate.
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