2-[6-acetyloxy-7-methyl-7-(4,7,8-trimethyl-5-oxidanylidene-non-7-enyl)oxepan-3-yl]ethyl ethanoate

Systemtic Name: 2-[6-acetyloxy-7-methyl-7-(4,7,8-trimethyl-5-oxidanylidene-non-7-enyl)oxepan-3-yl]ethyl ethanoate Openeye Name: 2-[6-acetoxy-7-methyl-7-(4,7,8-trimethyl-5-oxo-non-7-enyl)oxepan-3-yl]ethyl acetate CAS Name: acetic acid 2-[6-acetyloxy-7-methyl-7-(4,7,8-trimethyl-5-oxonon-7-enyl)-3-oxepanyl]ethyl ester IUPAC Name: 2-[6-acetyloxy-7-methyl-7-(4,7,8-trimethyl-5-oxonon-7-enyl)oxepan-3-yl]ethyl acetate Traditional Name: acetic acid 2-[6-acetoxy-7-(5-keto-4,7,8-trimethyl-non-7-enyl)-7-methyl-oxepan-3-yl]ethyl ester Formula: C25H42O6 MolecularWeight: 438.59738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42O6/c1-17(2)19(4)15-23(28)18(3)9-8-13-25(7)24(31-21(6)27)11-10-22(16-30-25)12-14-29-20(5)26/h18,22,24H,8-16H2,1-7H3