sodium (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

CAS: 129541-41-9

Formula: C14H12BrClNNaO7

SMILES: [Na+].O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=C(Br)C(Cl)=C23)O[C@@H]([C@H]1O)C([O-])=O

IUPAC: sodium (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

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/t9-,10-,11+,12-,14+;/m0./s1

Composition: C (37.82%), H (2.72%), Br (17.97%), Cl (7.97%), N (3.15%), Na (5.17%), O (25.19%)

Molar Mass: 444.59

Atom Count: 37

Heavy Atom Count: 25