Basic information
- CAS
16249-87-9- Standard SMILES
Cc1ccc2nc(-c3ccc4nc(C5C(=O)c6ccc(C(=O)[O-])cc6C5=O)ccc4c3)sc2c1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
OUZJHSOHERXFRU-UHFFFAOYSA-L- Molecular formula
- C27H14N2Na2O7S2
- Average molar mass
- 588.5 g/mol
- Monoisotopic mass
- 588.0037817
Names & identifiers
- Preferred name
- 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)
- IUPAC
- disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate
- English name
- disodium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylate
- Molecular formula
- C27H14N2Na2O7S2
- Molecular weight
- 588.5188
Names & synonyms
16249-87-9DTXSID80889653EINECS 240-361-31H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, disodium salt1H-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)1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, disodium saltRefChem:79863DTXCID001031127Disodium 2-(6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxoindan-5-carboxylateDisodium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylateOUZJHSOHERXFRU-UHFFFAOYSA-L
Show more names
2,3-Dihydro-2-[6-[6-methyl-7-(sodiooxysulfonyl)-2-benzothiazolyl]-2-quinolinyl]-1,3-dioxo-1H-indene-5-carboxylic acid sodium salt
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- EPA Substance Registry System
- 1 H-Indene-5-carboxylic · 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, disodium salt (16249-87-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, sodium salt (1:2): INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
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Compound notes
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