14-(1,3-benzodioxol-5-yl)tetradecan-2-one

Systemtic Name: 14-(1,3-benzodioxol-5-yl)tetradecan-2-one Openeye Name: 14-(1,3-benzodioxol-5-yl)tetradecan-2-one CAS Name: 14-(1,3-benzodioxol-5-yl)-2-tetradecanone IUPAC Name: 14-(1,3-benzodioxol-5-yl)tetradecan-2-one Traditional Name: 14-(1,3-benzodioxol-5-yl)tetradecan-2-one Formula: C21H32O3 MolecularWeight: 332.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCCCCCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)CCCCCCCCCCCCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C21H32O3/c1-18(22)12-10-8-6-4-2-3-5-7-9-11-13-19-14-15-20-21(16-19)24-17-23-20/h14-16H,2-13,17H2,1H3