[(2S,3R)-2-(phenylmethoxymethyl)oxolan-3-yl] quinoline-8-sulfonate

Systemtic Name: [(2S,3R)-2-(phenylmethoxymethyl)oxolan-3-yl] quinoline-8-sulfonate Openeye Name: [(2S,3R)-2-(benzyloxymethyl)tetrahydrofuran-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [(2S,3R)-2-(phenylmethoxymethyl)-3-oxolanyl] ester IUPAC Name: [(2S,3R)-2-(phenylmethoxymethyl)oxolan-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [(2S,3R)-2-(benzoxymethyl)tetrahydrofuran-3-yl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C1OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

C1CO[C@H]([C@@H]1OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C21H21NO5S/c23-28(24,20-10-4-8-17-9-5-12-22-21(17)20)27-18-11-13-26-19(18)15-25-14-16-6-2-1-3-7-16/h1-10,12,18-19H,11,13-15H2/t18-,19+/m1/s1