3-(2,3,5-trimethylphenoxy)propyl thiocyanate

Systemtic Name: 3-(2,3,5-trimethylphenoxy)propyl thiocyanate Openeye Name: 3-(2,3,5-trimethylphenoxy)propyl thiocyanate CAS Name: thiocyanic acid 3-(2,3,5-trimethylphenoxy)propyl ester IUPAC Name: 3-(2,3,5-trimethylphenoxy)propyl thiocyanate Traditional Name: thiocyanic acid 3-(2,3,5-trimethylphenoxy)propyl ester Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCSC#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCSC#N)C)C

InChI

InChI=1S/C13H17NOS/c1-10-7-11(2)12(3)13(8-10)15-5-4-6-16-9-14/h7-8H,4-6H2,1-3H3