(7-ethyl-3-methyl-undecan-4-yl) 2-thiocyanatoethanoate

Systemtic Name: (7-ethyl-3-methyl-undecan-4-yl) 2-thiocyanatoethanoate Openeye Name: (4-ethyl-1-sec-butyl-octyl) 2-thiocyanatoacetate CAS Name: 2-thiocyanatoacetic acid (7-ethyl-3-methylundecan-4-yl) ester IUPAC Name: (7-ethyl-3-methylundecan-4-yl) 2-thiocyanatoacetate Traditional Name: 2-thiocyanatoacetic acid (4-ethyl-1-sec-butyl-octyl) ester Formula: C17H31NO2S MolecularWeight: 313.49854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(C(C)CC)OC(=O)CSC#N

Isomeric SMILES

CCCCC(CC)CCC(C(C)CC)OC(=O)CSC#N

InChI

InChI=1S/C17H31NO2S/c1-5-8-9-15(7-3)10-11-16(14(4)6-2)20-17(19)12-21-13-18/h14-16H,5-12H2,1-4H3