sodium (2R,4aR,6S,7R,8S,8aR)-6-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7-sulfonate

Systemtic Name: sodium (2R,4aR,6S,7R,8S,8aR)-6-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7-sulfonate Openeye Name: sodium (2R,4aR,6S,7R,8S,8aR)-6-azido-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7-sulfonate CAS Name: sodium (2R,4aR,6S,7R,8S,8aR)-6-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-sulfonate IUPAC Name: sodium (2R,4aR,6S,7R,8S,8aR)-6-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7-sulfonate Traditional Name: sodium (2R,4aR,6S,7R,8S,8aR)-6-azido-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-sulfonate Formula: C20H20N3NaO7S MolecularWeight: 469.44347

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O2)N=[N+]=[N-])S(=O)(=O)[O-])OCC3=CC=CC=C3)OC(O1)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)N=[N+]=[N-])S(=O)(=O)[O-])OCC3=CC=CC=C3)O[C@@H](O1)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C20H21N3O7S.Na/c21-23-22-19-18(31(24,25)26)17(27-11-13-7-3-1-4-8-13)16-15(29-19)12-28-20(30-16)14-9-5-2-6-10-14;/h1-10,15-20H,11-12H2,(H,24,25,26);/q;+1/p-1/t15-,16-,17+,18-,19+,20-;/m1./s1