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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)OCC(O2)(CCl)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)OCC(O2)(CCl)O

InChI

InChI=1S/C13H17ClO3/c1-2-3-4-10-5-6-11-12(7-10)17-13(15,8-14)9-16-11/h5-7,15H,2-4,8-9H2,1H3