[2-(hydroxymethyl)-6-(6-methoxy-6-oxidanylidene-hexoxy)-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [2-(hydroxymethyl)-6-(6-methoxy-6-oxidanylidene-hexoxy)-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [5-benzoyloxy-4-hydroxy-2-(hydroxymethyl)-6-(6-methoxy-6-oxo-hexoxy)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [5-benzoyloxy-4-hydroxy-2-(hydroxymethyl)-6-(6-methoxy-6-oxohexoxy)-3-oxanyl] ester IUPAC Name: [5-benzoyloxy-4-hydroxy-2-(hydroxymethyl)-6-(6-methoxy-6-oxohexoxy)oxan-3-yl] benzoate Traditional Name: benzoic acid [5-benzoyloxy-4-hydroxy-6-(6-keto-6-methoxy-hexoxy)-2-methylol-tetrahydropyran-3-yl] ester Formula: C27H32O10 MolecularWeight: 516.53698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1C(C(C(C(O1)CO)OC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCOC1C(C(C(C(O1)CO)OC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H32O10/c1-33-21(29)15-9-4-10-16-34-27-24(37-26(32)19-13-7-3-8-14-19)22(30)23(20(17-28)35-27)36-25(31)18-11-5-2-6-12-18/h2-3,5-8,11-14,20,22-24,27-28,30H,4,9-10,15-17H2,1H3