(2-chloranyl-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-thiocyanatoethanoate

Systemtic Name: (2-chloranyl-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-thiocyanatoethanoate Openeye Name: (3-chloro-1,7,7-trimethyl-norbornan-2-yl) 2-thiocyanatoacetate CAS Name: 2-thiocyanatoacetic acid (2-chloro-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (2-chloro-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate Traditional Name: 2-thiocyanatoacetic acid (3-chloro-1,7,7-trimethyl-norbornan-2-yl) ester Formula: C13H18ClNO2S MolecularWeight: 287.80552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2Cl)OC(=O)CSC#N)C)C

Isomeric SMILES

CC1(C2CCC1(C(C2Cl)OC(=O)CSC#N)C)C

InChI

InChI=1S/C13H18ClNO2S/c1-12(2)8-4-5-13(12,3)11(10(8)14)17-9(16)6-18-7-15/h8,10-11H,4-6H2,1-3H3