methyl 2-[(2-hex-1-ynylphenyl)methyl]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 2-[(2-hex-1-ynylphenyl)methyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 2-[(2-hex-1-ynylphenyl)methyl]-4-oxo-pentanoate CAS Name: 2-[(2-hex-1-ynylphenyl)methyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(2-hex-1-ynylphenyl)methyl]-4-oxopentanoate Traditional Name: 2-(2-hex-1-ynylbenzyl)-4-keto-valeric acid methyl ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1CC(CC(=O)C)C(=O)OC

Isomeric SMILES

CCCCC#CC1=CC=CC=C1CC(CC(=O)C)C(=O)OC

InChI

InChI=1S/C19H24O3/c1-4-5-6-7-10-16-11-8-9-12-17(16)14-18(13-15(2)20)19(21)22-3/h8-9,11-12,18H,4-6,13-14H2,1-3H3