4-chloranylbutyl (1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate

Systemtic Name: 4-chloranylbutyl (1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate Openeye Name: 4-chlorobutyl (1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate CAS Name: (1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl (1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate Traditional Name: (1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid 4-chlorobutyl ester Formula: C12H19ClO3 MolecularWeight: 246.73046

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1)O2)C(=O)OCCCCCl

Isomeric SMILES

C[C@]1(CC[C@H]2[C@@H](C1)O2)C(=O)OCCCCCl

InChI

InChI=1S/C12H19ClO3/c1-12(5-4-9-10(8-12)16-9)11(14)15-7-3-2-6-13/h9-10H,2-8H2,1H3/t9-,10+,12+/m0/s1