2-[3-[(E)-6-(3,4-dimethoxyphenyl)-3-oxidanyl-hex-1-enyl]-1-oxidanyl-cyclohexyl]ethanoate

Systemtic Name: 2-[3-[(E)-6-(3,4-dimethoxyphenyl)-3-oxidanyl-hex-1-enyl]-1-oxidanyl-cyclohexyl]ethanoate Openeye Name: 2-[3-[(E)-6-(3,4-dimethoxyphenyl)-3-hydroxy-hex-1-enyl]-1-hydroxy-cyclohexyl]acetate CAS Name: 2-[3-[(E)-6-(3,4-dimethoxyphenyl)-3-hydroxyhex-1-enyl]-1-hydroxycyclohexyl]acetate IUPAC Name: 2-[3-[(E)-6-(3,4-dimethoxyphenyl)-3-hydroxyhex-1-enyl]-1-hydroxycyclohexyl]acetate Traditional Name: 2-[3-[(E)-6-(3,4-dimethoxyphenyl)-3-hydroxy-hex-1-enyl]-1-hydroxy-cyclohexyl]acetate Formula: C22H31O6- MolecularWeight: 391.47794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCC(C=CC2CCCC(C2)(CC(=O)[O-])O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCC(/C=C/C2CCCC(C2)(CC(=O)[O-])O)O)OC

InChI

InChI=1S/C22H32O6/c1-27-19-11-9-16(13-20(19)28-2)5-3-7-18(23)10-8-17-6-4-12-22(26,14-17)15-21(24)25/h8-11,13,17-18,23,26H,3-7,12,14-15H2,1-2H3,(H,24,25)/p-1/b10-8+