methyl 2-[(2-ethynylphenyl)methyl]-5-methyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl 2-[(2-ethynylphenyl)methyl]-5-methyl-4-oxidanylidene-hexanoate Openeye Name: methyl 2-[(2-ethynylphenyl)methyl]-5-methyl-4-oxo-hexanoate CAS Name: 2-[(2-ethynylphenyl)methyl]-5-methyl-4-oxohexanoic acid methyl ester IUPAC Name: methyl 2-[(2-ethynylphenyl)methyl]-5-methyl-4-oxohexanoate Traditional Name: 2-(2-ethynylbenzyl)-4-keto-5-methyl-hexanoic acid methyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(CC1=CC=CC=C1C#C)C(=O)OC

Isomeric SMILES

CC(C)C(=O)CC(CC1=CC=CC=C1C#C)C(=O)OC

InChI

InChI=1S/C17H20O3/c1-5-13-8-6-7-9-14(13)10-15(17(19)20-4)11-16(18)12(2)3/h1,6-9,12,15H,10-11H2,2-4H3