[(2Z)-2-[6-acetyloxy-7-(5-cyano-4,8-dimethyl-5-oxidanyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] ethanoate

Systemtic Name: [(2Z)-2-[6-acetyloxy-7-(5-cyano-4,8-dimethyl-5-oxidanyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] ethanoate Openeye Name: [(2Z)-2-[6-acetoxy-7-(5-cyano-5-hydroxy-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] acetate CAS Name: acetic acid [(2Z)-2-[6-acetyloxy-7-(5-cyano-5-hydroxy-4,8-dimethylnon-7-enyl)-7-methyl-3-oxepanylidene]ethyl] ester IUPAC Name: [(2Z)-2-[6-acetyloxy-7-(5-cyano-5-hydroxy-4,8-dimethylnon-7-enyl)-7-methyloxepan-3-ylidene]ethyl] acetate Traditional Name: acetic acid [(2Z)-2-[6-acetoxy-7-(5-cyano-5-hydroxy-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] ester Formula: C25H39NO6 MolecularWeight: 449.58026

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(C(CCC(=CCOC(=O)C)CO1)OC(=O)C)C)C(CC=C(C)C)(C#N)O

Isomeric SMILES

CC(CCCC1(C(CC/C(=C/COC(=O)C)/CO1)OC(=O)C)C)C(CC=C(C)C)(C#N)O

InChI

InChI=1S/C25H39NO6/c1-18(2)11-14-25(29,17-26)19(3)8-7-13-24(6)23(32-21(5)28)10-9-22(16-31-24)12-15-30-20(4)27/h11-12,19,23,29H,7-10,13-16H2,1-6H3/b22-12-