[(6Z)-2-(4,8-dimethyl-5-oxidanyl-non-7-enyl)-2-methyl-6-(2-oxidanylideneethylidene)oxepan-3-yl] ethanoate

Systemtic Name: [(6Z)-2-(4,8-dimethyl-5-oxidanyl-non-7-enyl)-2-methyl-6-(2-oxidanylideneethylidene)oxepan-3-yl] ethanoate Openeye Name: [(6Z)-2-(5-hydroxy-4,8-dimethyl-non-7-enyl)-2-methyl-6-(2-oxoethylidene)oxepan-3-yl] acetate CAS Name: acetic acid [(6Z)-2-(5-hydroxy-4,8-dimethylnon-7-enyl)-2-methyl-6-(2-oxoethylidene)-3-oxepanyl] ester IUPAC Name: [(6Z)-2-(5-hydroxy-4,8-dimethylnon-7-enyl)-2-methyl-6-(2-oxoethylidene)oxepan-3-yl] acetate Traditional Name: acetic acid [(6Z)-2-(5-hydroxy-4,8-dimethyl-non-7-enyl)-6-(2-ketoethylidene)-2-methyl-oxepan-3-yl] ester Formula: C22H36O5 MolecularWeight: 380.51824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CCCC1(C(CC/C(=C/C=O)/CO1)OC(=O)C)C)C(CC=C(C)C)O

InChI

InChI=1S/C22H36O5/c1-16(2)8-10-20(25)17(3)7-6-13-22(5)21(27-18(4)24)11-9-19(12-14-23)15-26-22/h8,12,14,17,20-21,25H,6-7,9-11,13,15H2,1-5H3/b19-12-