sodium 6-[(5-bromanyl-4-chloranyl-1H-indol-3-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: sodium 6-[(5-bromanyl-4-chloranyl-1H-indol-3-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: sodium 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: sodium 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: sodium 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate Formula: C14H12BrClNNaO7 MolecularWeight: 444.59435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]

Isomeric SMILES

C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]

InChI

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