[2-(hydroxymethyl)-6-octoxy-5-oxidanyl-5-(phenylcarbonyl)-4-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [2-(hydroxymethyl)-6-octoxy-5-oxidanyl-5-(phenylcarbonyl)-4-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [5-benzoyl-4-benzoyloxy-5-hydroxy-2-(hydroxymethyl)-6-octoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [5-benzoyl-4-benzoyloxy-5-hydroxy-2-(hydroxymethyl)-6-octoxy-3-oxanyl] ester IUPAC Name: [5-benzoyl-4-benzoyloxy-5-hydroxy-2-(hydroxymethyl)-6-octoxyoxan-3-yl] benzoate Traditional Name: benzoic acid (5-benzoyl-4-benzoyloxy-5-hydroxy-2-methylol-6-octoxy-tetrahydropyran-3-yl) ester Formula: C35H40O9 MolecularWeight: 604.6867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCOC1C(C(C(C(O1)CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C35H40O9/c1-2-3-4-5-6-16-23-41-34-35(40,30(37)25-17-10-7-11-18-25)31(44-33(39)27-21-14-9-15-22-27)29(28(24-36)42-34)43-32(38)26-19-12-8-13-20-26/h7-15,17-22,28-29,31,34,36,40H,2-6,16,23-24H2,1H3