[6-methoxy-4,5-bis(phenylcarbonyloxy)-2-(sulfonatooxymethyl)oxan-3-yl] sulfate

Systemtic Name: [6-methoxy-4,5-bis(phenylcarbonyloxy)-2-(sulfonatooxymethyl)oxan-3-yl] sulfate Openeye Name: [4,5-dibenzoyloxy-6-methoxy-2-(sulfonatooxymethyl)tetrahydropyran-3-yl] sulfate CAS Name: [4,5-dibenzoyloxy-6-methoxy-2-(sulfonatooxymethyl)-3-oxanyl] sulfate IUPAC Name: [4,5-dibenzoyloxy-6-methoxy-2-(sulfonatooxymethyl)oxan-3-yl] sulfate Traditional Name: [4,5-dibenzoyloxy-6-methoxy-2-(sulfatomethyl)tetrahydropyran-3-yl] sulfate Formula: C21H20O14S2-2 MolecularWeight: 560.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1C(C(C(C(O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22O14S2/c1-30-21-18(34-20(23)14-10-6-3-7-11-14)17(33-19(22)13-8-4-2-5-9-13)16(35-37(27,28)29)15(32-21)12-31-36(24,25)26/h2-11,15-18,21H,12H2,1H3,(H,24,25,26)(H,27,28,29)/p-2