[(2R,3S,6R,7S)-2-but-3-enyl-7-(hydroxymethyl)-2,6-dimethyl-6-oxidanyl-oxepan-3-yl] benzoate

Systemtic Name: [(2R,3S,6R,7S)-2-but-3-enyl-7-(hydroxymethyl)-2,6-dimethyl-6-oxidanyl-oxepan-3-yl] benzoate Openeye Name: [(2R,3S,6R,7S)-2-but-3-enyl-6-hydroxy-7-(hydroxymethyl)-2,6-dimethyl-oxepan-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,6R,7S)-2-but-3-enyl-6-hydroxy-7-(hydroxymethyl)-2,6-dimethyl-3-oxepanyl] ester IUPAC Name: [(2R,3S,6R,7S)-2-but-3-enyl-6-hydroxy-7-(hydroxymethyl)-2,6-dimethyloxepan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,6R,7S)-2-but-3-enyl-6-hydroxy-2,6-dimethyl-7-methylol-oxepan-3-yl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(OC1CO)(C)CCC=C)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[C@]1(CC[C@@H]([C@@](O[C@H]1CO)(C)CCC=C)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C20H28O5/c1-4-5-12-20(3)16(11-13-19(2,23)17(14-21)25-20)24-18(22)15-9-7-6-8-10-15/h4,6-10,16-17,21,23H,1,5,11-14H2,2-3H3/t16-,17-,19+,20+/m0/s1