6-oxidanylundec-4-ynyl benzoate

Systemtic Name: 6-oxidanylundec-4-ynyl benzoate Openeye Name: 6-hydroxyundec-4-ynyl benzoate CAS Name: benzoic acid 6-hydroxyundec-4-ynyl ester IUPAC Name: 6-hydroxyundec-4-ynyl benzoate Traditional Name: benzoic acid 6-hydroxyundec-4-ynyl ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CCCCOC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCC(C#CCCCOC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C18H24O3/c1-2-3-6-13-17(19)14-9-5-10-15-21-18(20)16-11-7-4-8-12-16/h4,7-8,11-12,17,19H,2-3,5-6,10,13,15H2,1H3