methyl 2-[(2-hex-1-ynylphenyl)methyl]-5-methyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl 2-[(2-hex-1-ynylphenyl)methyl]-5-methyl-4-oxidanylidene-hexanoate Openeye Name: methyl 2-[(2-hex-1-ynylphenyl)methyl]-5-methyl-4-oxo-hexanoate CAS Name: 2-[(2-hex-1-ynylphenyl)methyl]-5-methyl-4-oxohexanoic acid methyl ester IUPAC Name: methyl 2-[(2-hex-1-ynylphenyl)methyl]-5-methyl-4-oxohexanoate Traditional Name: 2-(2-hex-1-ynylbenzyl)-4-keto-5-methyl-hexanoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-5-6-7-8-11-17-12-9-10-13-18(17)14-19(21(23)24-4)15-20(22)16(2)3/h9-10,12-13,16,19H,5-7,14-15H2,1-4H3