1-(1,3-benzodioxol-5-yl)but-3-enyl hexadecanoate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)but-3-enyl hexadecanoate Openeye Name: 1-(1,3-benzodioxol-5-yl)but-3-enyl hexadecanoate CAS Name: hexadecanoic acid 1-(1,3-benzodioxol-5-yl)but-3-enyl ester IUPAC Name: 1-(1,3-benzodioxol-5-yl)but-3-enyl hexadecanoate Traditional Name: palmitic acid 1-(1,3-benzodioxol-5-yl)but-3-enyl ester Formula: C27H42O4 MolecularWeight: 430.61998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CC=C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CC=C)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C27H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-27(28)31-24(17-4-2)23-19-20-25-26(21-23)30-22-29-25/h4,19-21,24H,2-3,5-18,22H2,1H3