4-[(E)-11-cyclohexyl-11-oxidanyl-undec-9-en-1-ynyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[(E)-11-cyclohexyl-11-oxidanyl-undec-9-en-1-ynyl]-2,6-dimethoxy-phenol Openeye Name: 4-[(E)-11-cyclohexyl-11-hydroxy-undec-9-en-1-ynyl]-2,6-dimethoxy-phenol CAS Name: 4-[(E)-11-cyclohexyl-11-hydroxyundec-9-en-1-ynyl]-2,6-dimethoxyphenol IUPAC Name: 4-[(E)-11-cyclohexyl-11-hydroxyundec-9-en-1-ynyl]-2,6-dimethoxyphenol Traditional Name: 4-[(E)-11-cyclohexyl-11-hydroxy-undec-9-en-1-ynyl]-2,6-dimethoxy-phenol Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C#CCCCCCCC=CC(C2CCCCC2)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C#CCCCCCC/C=C/C(C2CCCCC2)O

InChI

InChI=1S/C25H36O4/c1-28-23-18-20(19-24(29-2)25(23)27)14-10-7-5-3-4-6-8-13-17-22(26)21-15-11-9-12-16-21/h13,17-19,21-22,26-27H,3-9,11-12,15-16H2,1-2H3/b17-13+