[2-(2-bromoethyloxy)-5-oxidanyl-3-(phenylcarbonyloxy)-6-(phenylmethoxymethyl)oxan-4-yl] benzoate

Systemtic Name: [2-(2-bromoethyloxy)-5-oxidanyl-3-(phenylcarbonyloxy)-6-(phenylmethoxymethyl)oxan-4-yl] benzoate Openeye Name: [5-benzoyloxy-2-(benzyloxymethyl)-6-(2-bromoethoxy)-3-hydroxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-(2-bromoethoxy)-5-hydroxy-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [3-benzoyloxy-2-(2-bromoethoxy)-5-hydroxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate Traditional Name: benzoic acid [2-(benzoxymethyl)-5-benzoyloxy-6-(2-bromoethoxy)-3-hydroxy-tetrahydropyran-4-yl] ester Formula: C29H29BrO8 MolecularWeight: 585.43976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OCCBr)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OCCBr)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C29H29BrO8/c30-16-17-35-29-26(38-28(33)22-14-8-3-9-15-22)25(37-27(32)21-12-6-2-7-13-21)24(31)23(36-29)19-34-18-20-10-4-1-5-11-20/h1-15,23-26,29,31H,16-19H2