1-(1,3-benzodioxol-5-yl)propan-2-yl 2-chloranylethanoate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)propan-2-yl 2-chloranylethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl] 2-chloroacetate CAS Name: 2-chloroacetic acid 1-(1,3-benzodioxol-5-yl)propan-2-yl ester IUPAC Name: 1-(1,3-benzodioxol-5-yl)propan-2-yl 2-chloroacetate Traditional Name: 2-chloroacetic acid [2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl] ester Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)OC(=O)CCl

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)OC(=O)CCl

InChI

InChI=1S/C12H13ClO4/c1-8(17-12(14)6-13)4-9-2-3-10-11(5-9)16-7-15-10/h2-3,5,8H,4,6-7H2,1H3