[1-(1,3-benzodioxol-5-yl)-4-(oxan-2-yloxy)but-2-ynyl] ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-yl)-4-(oxan-2-yloxy)but-2-ynyl] ethanoate Openeye Name: [1-(1,3-benzodioxol-5-yl)-4-tetrahydropyran-2-yloxy-but-2-ynyl] acetate CAS Name: acetic acid [1-(1,3-benzodioxol-5-yl)-4-(2-oxanyloxy)but-2-ynyl] ester IUPAC Name: [1-(1,3-benzodioxol-5-yl)-4-(oxan-2-yloxy)but-2-ynyl] acetate Traditional Name: acetic acid [1-(1,3-benzodioxol-5-yl)-4-tetrahydropyran-2-yloxy-but-2-ynyl] ester Formula: C18H20O6 MolecularWeight: 332.3478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CCOC1CCCCO1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)OC(C#CCOC1CCCCO1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20O6/c1-13(19)24-15(5-4-10-21-18-6-2-3-9-20-18)14-7-8-16-17(11-14)23-12-22-16/h7-8,11,15,18H,2-3,6,9-10,12H2,1H3