6-butan-2-yl-3-(chloromethyl)-2H-1,4-benzodioxin-3-ol

Systemtic Name: 6-butan-2-yl-3-(chloromethyl)-2H-1,4-benzodioxin-3-ol Openeye Name: 3-(chloromethyl)-6-sec-butyl-2H-1,4-benzodioxin-3-ol CAS Name: 6-butan-2-yl-3-(chloromethyl)-2H-1,4-benzodioxin-3-ol IUPAC Name: 6-butan-2-yl-3-(chloromethyl)-2H-1,4-benzodioxin-3-ol Traditional Name: 3-(chloromethyl)-6-sec-butyl-2H-1,4-benzodioxin-3-ol Formula: C13H17ClO3 MolecularWeight: 256.72528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OCC(O2)(CCl)O

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OCC(O2)(CCl)O

InChI

InChI=1S/C13H17ClO3/c1-3-9(2)10-4-5-11-12(6-10)17-13(15,7-14)8-16-11/h4-6,9,15H,3,7-8H2,1-2H3