propyl 2-oxidanyl-5-(11-oxidanylundeca-1,9-diynyl)benzoate

Systemtic Name: propyl 2-oxidanyl-5-(11-oxidanylundeca-1,9-diynyl)benzoate Openeye Name: propyl 2-hydroxy-5-(11-hydroxyundeca-1,9-diynyl)benzoate CAS Name: 2-hydroxy-5-(11-hydroxyundeca-1,9-diynyl)benzoic acid propyl ester IUPAC Name: propyl 2-hydroxy-5-(11-hydroxyundeca-1,9-diynyl)benzoate Traditional Name: 2-hydroxy-5-(11-hydroxyundeca-1,9-diynyl)benzoic acid propyl ester Formula: C21H26O4 MolecularWeight: 342.42874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)C#CCCCCCCC#CCO)O

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)C#CCCCCCCC#CCO)O

InChI

InChI=1S/C21H26O4/c1-2-16-25-21(24)19-17-18(13-14-20(19)23)12-10-8-6-4-3-5-7-9-11-15-22/h13-14,17,22-23H,2-8,15-16H2,1H3