[(2R,4R)-4-(3-phenoxypropoxy)-2-(sulfonatooxymethyl)oxan-3-yl] sulfate

Systemtic Name: [(2R,4R)-4-(3-phenoxypropoxy)-2-(sulfonatooxymethyl)oxan-3-yl] sulfate Openeye Name: [(2R,4R)-4-(3-phenoxypropoxy)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl] sulfate CAS Name: [(2R,4R)-4-(3-phenoxypropoxy)-2-(sulfonatooxymethyl)-3-oxanyl] sulfate IUPAC Name: [(2R,4R)-4-(3-phenoxypropoxy)-2-(sulfonatooxymethyl)oxan-3-yl] sulfate Traditional Name: [(2R,4R)-4-(3-phenoxypropoxy)-2-(sulfatomethyl)tetrahydropyran-3-yl] sulfate Formula: C15H20O11S2-2 MolecularWeight: 440.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(C1OCCCOC2=CC=CC=C2)OS(=O)(=O)[O-])COS(=O)(=O)[O-]

Isomeric SMILES

C1CO[C@@H](C([C@@H]1OCCCOC2=CC=CC=C2)OS(=O)(=O)[O-])COS(=O)(=O)[O-]

InChI

InChI=1S/C15H22O11S2/c16-27(17,18)25-11-14-15(26-28(19,20)21)13(7-10-24-14)23-9-4-8-22-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,16,17,18)(H,19,20,21)/p-2/t13-,14-,15?/m1/s1