[(2S,5S)-2-[(2R)-2,6-dimethylhept-5-enyl]-5-pentyl-2,5-dihydrofuran-3-yl] benzoate

Systemtic Name: [(2S,5S)-2-[(2R)-2,6-dimethylhept-5-enyl]-5-pentyl-2,5-dihydrofuran-3-yl] benzoate Openeye Name: [(2S,5S)-2-[(2R)-2,6-dimethylhept-5-enyl]-5-pentyl-2,5-dihydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,5S)-2-[(2R)-2,6-dimethylhept-5-enyl]-5-pentyl-2,5-dihydrofuran-3-yl] ester IUPAC Name: [(2S,5S)-2-[(2R)-2,6-dimethylhept-5-enyl]-5-pentyl-2,5-dihydrofuran-3-yl] benzoate Traditional Name: benzoic acid [(2S,5S)-5-amyl-2-[(2R)-2,6-dimethylhept-5-enyl]-2,5-dihydrofuran-3-yl] ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=C(C(O1)CC(C)CCC=C(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H]1C=C([C@@H](O1)C[C@H](C)CCC=C(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H36O3/c1-5-6-8-16-22-18-24(28-25(26)21-14-9-7-10-15-21)23(27-22)17-20(4)13-11-12-19(2)3/h7,9-10,12,14-15,18,20,22-23H,5-6,8,11,13,16-17H2,1-4H3/t20-,22+,23+/m1/s1