Chemical Compound

C33H24N6Na3O18P3S6

CAS Registry Number 145613-12-3
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C33H24N6Na3O18P3S6 chemical structure
Primary Record

C33H24N6Na3O18P3S6

In stock
8,073 g
Purity
98.9 %
CAS
145613-12-3

Compound Identifiers & Properties

CAS
145613-12-3
PubChem CID
176450398
SMILES
C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)(O)O)C(=O)O.C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)(O)O)C(=O)O.C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+]
Canonical SMILES
O=C(O)[C@H]1CSC(c2nc3ccc(OP(=O)(O)O)cc3s2)=N1.O=C(O)[C@H]1CSC(c2nc3ccc(OP(=O)(O)O)cc3s2)=N1.O=C([O-])[C@H]1CSC(c2nc3ccc(OP(=O)([O-])[O-])cc3s2)=N1.[Na+].[Na+].[Na+]

Names & Synonyms

  • C33H24N6Na3O18P3S6
  • MFCD00214322
  • trisodium;(4S)-2-(6-phosphonooxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate
  • 145613-12-3