methyl 3-[4-(6-oxidanylhex-1-ynyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(6-oxidanylhex-1-ynyl)phenyl]propanoate Openeye Name: methyl 3-[4-(6-hydroxyhex-1-ynyl)phenyl]propanoate CAS Name: 3-[4-(6-hydroxyhex-1-ynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(6-hydroxyhex-1-ynyl)phenyl]propanoate Traditional Name: 3-[4-(6-hydroxyhex-1-ynyl)phenyl]propionic acid methyl ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C#CCCCCO

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C#CCCCCO

InChI

InChI=1S/C16H20O3/c1-19-16(18)12-11-15-9-7-14(8-10-15)6-4-2-3-5-13-17/h7-10,17H,2-3,5,11-13H2,1H3