methyl 2-hex-1-ynyl-3-methoxy-benzoate

Systemtic Name: methyl 2-hex-1-ynyl-3-methoxy-benzoate Openeye Name: methyl 2-hex-1-ynyl-3-methoxy-benzoate CAS Name: 2-hex-1-ynyl-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-hex-1-ynyl-3-methoxybenzoate Traditional Name: 2-hex-1-ynyl-3-methoxy-benzoic acid methyl ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC=C1OC)C(=O)OC

Isomeric SMILES

CCCCC#CC1=C(C=CC=C1OC)C(=O)OC

InChI

InChI=1S/C15H18O3/c1-4-5-6-7-9-12-13(15(16)18-3)10-8-11-14(12)17-2/h8,10-11H,4-6H2,1-3H3