3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]-, sodium salt

HCID 4072

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Basic information

CAS: 62796-23-0
Standard SMILES: CCCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCCC)C1=S.[Na+]
InChIKey: OSQUFVVXNRMSHL-UHFFFAOYSA-M
Molecular formula: C26H32N3NaO6S2
Average molar mass: 569.681 g/mol
Monoisotopic mass: 569.16302202

Preferred name: 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]-, sodium salt
IUPAC: Sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate

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