[(1S,2R,3R,5R)-4-methylidene-5-oxidanyl-2,3-bis(phenylmethoxymethyl)cyclohexyl] ethanoate

Systemtic Name: [(1S,2R,3R,5R)-4-methylidene-5-oxidanyl-2,3-bis(phenylmethoxymethyl)cyclohexyl] ethanoate Openeye Name: [(1S,2R,3R,5R)-2,3-bis(benzyloxymethyl)-5-hydroxy-4-methylene-cyclohexyl] acetate CAS Name: acetic acid [(1S,2R,3R,5R)-5-hydroxy-4-methylene-2,3-bis(phenylmethoxymethyl)cyclohexyl] ester IUPAC Name: [(1S,2R,3R,5R)-5-hydroxy-4-methylidene-2,3-bis(phenylmethoxymethyl)cyclohexyl] acetate Traditional Name: acetic acid [(1S,2R,3R,5R)-2,3-bis(benzoxymethyl)-5-hydroxy-4-methylene-cyclohexyl] ester Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(=C)C(C1COCC2=CC=CC=C2)COCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](C(=C)[C@@H]([C@@H]1COCC2=CC=CC=C2)COCC3=CC=CC=C3)O

InChI

InChI=1S/C25H30O5/c1-18-22(16-28-14-20-9-5-3-6-10-20)23(25(13-24(18)27)30-19(2)26)17-29-15-21-11-7-4-8-12-21/h3-12,22-25,27H,1,13-17H2,2H3/t22-,23-,24+,25-/m0/s1