methyl 5-oxidanyl-7-[4-(9-oxidanylnonyl)phenyl]hept-6-ynoate

Systemtic Name: methyl 5-oxidanyl-7-[4-(9-oxidanylnonyl)phenyl]hept-6-ynoate Openeye Name: methyl 5-hydroxy-7-[4-(9-hydroxynonyl)phenyl]hept-6-ynoate CAS Name: 5-hydroxy-7-[4-(9-hydroxynonyl)phenyl]-6-heptynoic acid methyl ester IUPAC Name: methyl 5-hydroxy-7-[4-(9-hydroxynonyl)phenyl]hept-6-ynoate Traditional Name: 5-hydroxy-7-[4-(9-hydroxynonyl)phenyl]hept-6-ynoic acid methyl ester Formula: C23H34O4 MolecularWeight: 374.51366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C#CC1=CC=C(C=C1)CCCCCCCCCO)O

Isomeric SMILES

COC(=O)CCCC(C#CC1=CC=C(C=C1)CCCCCCCCCO)O

InChI

InChI=1S/C23H34O4/c1-27-23(26)12-9-11-22(25)18-17-21-15-13-20(14-16-21)10-7-5-3-2-4-6-8-19-24/h13-16,22,24-25H,2-12,19H2,1H3