[2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-3-oxidanyl-5-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [2-(hydroxymethyl)-6-(9-methoxy-9-oxidanylidene-nonoxy)-3-oxidanyl-5-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [5-benzoyloxy-3-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxo-nonoxy)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [5-benzoyloxy-3-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-4-oxanyl] ester IUPAC Name: [5-benzoyloxy-3-hydroxy-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)oxan-4-yl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-5-hydroxy-2-(9-keto-9-methoxy-nonoxy)-6-methylol-tetrahydropyran-4-yl] ester Formula: C30H38O10 MolecularWeight: 558.61672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38O10/c1-36-24(32)18-12-4-2-3-5-13-19-37-30-27(40-29(35)22-16-10-7-11-17-22)26(25(33)23(20-31)38-30)39-28(34)21-14-8-6-9-15-21/h6-11,14-17,23,25-27,30-31,33H,2-5,12-13,18-20H2,1H3