methyl 4-(1-oxidanylnon-2-ynyl)benzoate

Systemtic Name: methyl 4-(1-oxidanylnon-2-ynyl)benzoate Openeye Name: methyl 4-(1-hydroxynon-2-ynyl)benzoate CAS Name: 4-(1-hydroxynon-2-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-hydroxynon-2-ynyl)benzoate Traditional Name: 4-(1-hydroxynon-2-ynyl)benzoic acid methyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC(C1=CC=C(C=C1)C(=O)OC)O

Isomeric SMILES

CCCCCCC#CC(C1=CC=C(C=C1)C(=O)OC)O

InChI

InChI=1S/C17H22O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13,16,18H,3-7H2,1-2H3