sodium 2-bromanyl-3-chloranyl-6-(1H-indol-3-yloxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylate trihydrate

Systemtic Name: sodium 2-bromanyl-3-chloranyl-6-(1H-indol-3-yloxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylate trihydrate Openeye Name: sodium 2-bromo-3-chloro-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)tetrahydropyran-2-carboxylate trihydrate CAS Name: sodium 2-bromo-3-chloro-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)-2-oxanecarboxylate trihydrate IUPAC Name: sodium 2-bromo-3-chloro-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylate trihydrate Traditional Name: sodium 2-bromo-3-chloro-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)tetrahydropyran-2-carboxylate trihydrate Formula: C14H18BrClNNaO10 MolecularWeight: 498.64019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)(C(=O)[O-])Br)(O)Cl)O)O.O.O.O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)(C(=O)[O-])Br)(O)Cl)O)O.O.O.O.[Na+]

InChI

InChI=1S/C14H13BrClNO7.Na.3H2O/c15-13(12(20)21)14(16,22)10(19)9(18)11(24-13)23-8-5-17-7-4-2-1-3-6(7)8;;;;/h1-5,9-11,17-19,22H,(H,20,21);;3*1H2/q;+1;;;/p-1