methyl 2-[4-(4-oxidanylbut-1-ynyl)phenyl]pentanoate

Systemtic Name: methyl 2-[4-(4-oxidanylbut-1-ynyl)phenyl]pentanoate Openeye Name: methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]pentanoate CAS Name: 2-[4-(4-hydroxybut-1-ynyl)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]pentanoate Traditional Name: 2-[4-(4-hydroxybut-1-ynyl)phenyl]valeric acid methyl ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C#CCCO)C(=O)OC

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C#CCCO)C(=O)OC

InChI

InChI=1S/C16H20O3/c1-3-6-15(16(18)19-2)14-10-8-13(9-11-14)7-4-5-12-17/h8-11,15,17H,3,5-6,12H2,1-2H3