[(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phosphonooxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate

Systemtic Name: [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phosphonooxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate Openeye Name: [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phosphonooxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate CAS Name: benzoic acid [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phosphonooxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phosphonooxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate Traditional Name: benzoic acid [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phosphonooxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C21H23O10P MolecularWeight: 466.375081

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OP(=O)(O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OP(=O)(O)O

InChI

InChI=1S/C21H23O10P/c1-26-21-18(31-32(23,24)25)17(29-19(22)13-8-4-2-5-9-13)16-15(28-21)12-27-20(30-16)14-10-6-3-7-11-14/h2-11,15-18,20-21H,12H2,1H3,(H2,23,24,25)/t15-,16+,17+,18-,20?,21-/m1/s1