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

Systemtic Name: [(2E)-2-[7-[(E)-4,8-dimethyl-8-oxidanyl-5-oxidanylidene-non-6-enyl]-7-methyl-6-oxidanyl-oxepan-3-ylidene]ethyl] ethanoate Openeye Name: [(2E)-2-[6-hydroxy-7-[(E)-8-hydroxy-4,8-dimethyl-5-oxo-non-6-enyl]-7-methyl-oxepan-3-ylidene]ethyl] acetate CAS Name: acetic acid [(2E)-2-[6-hydroxy-7-[(E)-8-hydroxy-4,8-dimethyl-5-oxonon-6-enyl]-7-methyl-3-oxepanylidene]ethyl] ester IUPAC Name: [(2E)-2-[6-hydroxy-7-[(E)-8-hydroxy-4,8-dimethyl-5-oxonon-6-enyl]-7-methyloxepan-3-ylidene]ethyl] acetate Traditional Name: acetic acid [(2E)-2-[6-hydroxy-7-[(E)-8-hydroxy-5-keto-4,8-dimethyl-non-6-enyl]-7-methyl-oxepan-3-ylidene]ethyl] ester Formula: C22H36O6 MolecularWeight: 396.51764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CCCC1(C(CC/C(=C\COC(=O)C)/CO1)O)C)C(=O)/C=C/C(C)(C)O

InChI

InChI=1S/C22H36O6/c1-16(19(24)10-13-21(3,4)26)7-6-12-22(5)20(25)9-8-18(15-28-22)11-14-27-17(2)23/h10-11,13,16,20,25-26H,6-9,12,14-15H2,1-5H3/b13-10+,18-11+