dimethyl 2-[[(2R,3S)-3-oct-1-ynyloxiran-2-yl]methyl]-2-prop-2-enyl-propanedioate

Systemtic Name: dimethyl 2-[[(2R,3S)-3-oct-1-ynyloxiran-2-yl]methyl]-2-prop-2-enyl-propanedioate Openeye Name: dimethyl 2-allyl-2-[[(2R,3S)-3-oct-1-ynyloxiran-2-yl]methyl]propanedioate CAS Name: 2-[[(2R,3S)-3-oct-1-ynyl-2-oxiranyl]methyl]-2-prop-2-enylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(2R,3S)-3-oct-1-ynyloxiran-2-yl]methyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[[(2R,3S)-3-oct-1-ynyloxiran-2-yl]methyl]malonic acid dimethyl ester Formula: C19H28O5 MolecularWeight: 336.42262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1C(O1)CC(CC=C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCC#C[C@H]1[C@H](O1)CC(CC=C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H28O5/c1-5-7-8-9-10-11-12-15-16(24-15)14-19(13-6-2,17(20)22-3)18(21)23-4/h6,15-16H,2,5,7-10,13-14H2,1,3-4H3/t15-,16+/m0/s1