methyl 5-oxidanyl-7-[2-(1-oxidanylnonyl)phenyl]hept-6-ynoate

Systemtic Name: methyl 5-oxidanyl-7-[2-(1-oxidanylnonyl)phenyl]hept-6-ynoate Openeye Name: methyl 5-hydroxy-7-[2-(1-hydroxynonyl)phenyl]hept-6-ynoate CAS Name: 5-hydroxy-7-[2-(1-hydroxynonyl)phenyl]-6-heptynoic acid methyl ester IUPAC Name: methyl 5-hydroxy-7-[2-(1-hydroxynonyl)phenyl]hept-6-ynoate Traditional Name: 5-hydroxy-7-[2-(1-hydroxynonyl)phenyl]hept-6-ynoic acid methyl ester Formula: C23H34O4 MolecularWeight: 374.51366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=CC=CC=C1C#CC(CCCC(=O)OC)O)O

Isomeric SMILES

CCCCCCCCC(C1=CC=CC=C1C#CC(CCCC(=O)OC)O)O

InChI

InChI=1S/C23H34O4/c1-3-4-5-6-7-8-15-22(25)21-14-10-9-12-19(21)17-18-20(24)13-11-16-23(26)27-2/h9-10,12,14,20,22,24-25H,3-8,11,13,15-16H2,1-2H3