[(E)-6-oxidanyl-3-[(2R)-7-phenylhept-3-yn-2-yl]oxy-hex-2-enyl] ethanoate

Systemtic Name: [(E)-6-oxidanyl-3-[(2R)-7-phenylhept-3-yn-2-yl]oxy-hex-2-enyl] ethanoate Openeye Name: [(E)-6-hydroxy-3-[(1R)-1-methyl-6-phenyl-hex-2-ynoxy]hex-2-enyl] acetate CAS Name: acetic acid [(E)-6-hydroxy-3-[(2R)-7-phenylhept-3-yn-2-yl]oxyhex-2-enyl] ester IUPAC Name: [(E)-6-hydroxy-3-[(2R)-7-phenylhept-3-yn-2-yl]oxyhex-2-enyl] acetate Traditional Name: acetic acid [(E)-6-hydroxy-3-[(1R)-1-methyl-6-phenyl-hex-2-ynoxy]hex-2-enyl] ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCCCC1=CC=CC=C1)OC(=CCOC(=O)C)CCCO

Isomeric SMILES

C[C@H](C#CCCCC1=CC=CC=C1)O/C(=C/COC(=O)C)/CCCO

InChI

InChI=1S/C21H28O4/c1-18(10-5-3-6-11-20-12-7-4-8-13-20)25-21(14-9-16-22)15-17-24-19(2)23/h4,7-8,12-13,15,18,22H,3,6,9,11,14,16-17H2,1-2H3/b21-15+/t18-/m1/s1