[2-butyl-2-(hydroxymethyl)hexyl] thiocyanate

Systemtic Name: [2-butyl-2-(hydroxymethyl)hexyl] thiocyanate Openeye Name: [2-butyl-2-(hydroxymethyl)hexyl] thiocyanate CAS Name: thiocyanic acid [2-butyl-2-(hydroxymethyl)hexyl] ester IUPAC Name: [2-butyl-2-(hydroxymethyl)hexyl] thiocyanate Traditional Name: thiocyanic acid (2-butyl-2-methylol-hexyl) ester Formula: C12H23NOS MolecularWeight: 229.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CO)CSC#N

Isomeric SMILES

CCCCC(CCCC)(CO)CSC#N

InChI

InChI=1S/C12H23NOS/c1-3-5-7-12(9-14,8-6-4-2)10-15-11-13/h14H,3-10H2,1-2H3