4-[[2-(hydroxymethyl)-6-oct-1-ynyl-3,6-dihydro-2H-pyran-3-yl]oxy]benzaldehyde

Systemtic Name: 4-[[2-(hydroxymethyl)-6-oct-1-ynyl-3,6-dihydro-2H-pyran-3-yl]oxy]benzaldehyde Openeye Name: 4-[[2-(hydroxymethyl)-6-oct-1-ynyl-3,6-dihydro-2H-pyran-3-yl]oxy]benzaldehyde CAS Name: 4-[[2-(hydroxymethyl)-6-oct-1-ynyl-3,6-dihydro-2H-pyran-3-yl]oxy]benzaldehyde IUPAC Name: 4-[[2-(hydroxymethyl)-6-oct-1-ynyl-3,6-dihydro-2H-pyran-3-yl]oxy]benzaldehyde Traditional Name: 4-[(2-methylol-6-oct-1-ynyl-3,6-dihydro-2H-pyran-3-yl)oxy]benzaldehyde Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1C=CC(C(O1)CO)OC2=CC=C(C=C2)C=O

Isomeric SMILES

CCCCCCC#CC1C=CC(C(O1)CO)OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C21H26O4/c1-2-3-4-5-6-7-8-18-13-14-20(21(16-23)25-18)24-19-11-9-17(15-22)10-12-19/h9-15,18,20-21,23H,2-6,16H2,1H3