[(2S)-hex-4-yn-2-yl] 2-(2-hex-4-ynoyl-3,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [(2S)-hex-4-yn-2-yl] 2-(2-hex-4-ynoyl-3,5-dimethoxy-phenyl)ethanoate Openeye Name: [(1S)-1-methylpent-3-ynyl] 2-(2-hex-4-ynoyl-3,5-dimethoxy-phenyl)acetate CAS Name: 2-[3,5-dimethoxy-2-(1-oxohex-4-ynyl)phenyl]acetic acid [(2S)-hex-4-yn-2-yl] ester IUPAC Name: [(2S)-hex-4-yn-2-yl] 2-(2-hex-4-ynoyl-3,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-hex-4-ynoyl-3,5-dimethoxy-phenyl)acetic acid [(1S)-1-methylpent-3-ynyl] ester Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC(=O)C1=C(C=C(C=C1CC(=O)OC(C)CC#CC)OC)OC

Isomeric SMILES

CC#CCCC(=O)C1=C(C=C(C=C1CC(=O)O[C@@H](C)CC#CC)OC)OC

InChI

InChI=1S/C22H26O5/c1-6-8-10-12-19(23)22-17(13-18(25-4)15-20(22)26-5)14-21(24)27-16(3)11-9-7-2/h13,15-16H,10-12,14H2,1-5H3/t16-/m0/s1