3-(3,4-dimethylphenoxy)propyl thiocyanate

Systemtic Name: 3-(3,4-dimethylphenoxy)propyl thiocyanate Openeye Name: 3-(3,4-dimethylphenoxy)propyl thiocyanate CAS Name: thiocyanic acid 3-(3,4-dimethylphenoxy)propyl ester IUPAC Name: 3-(3,4-dimethylphenoxy)propyl thiocyanate Traditional Name: thiocyanic acid 3-(3,4-dimethylphenoxy)propyl ester Formula: C12H15NOS MolecularWeight: 221.3186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NOS/c1-10-4-5-12(8-11(10)2)14-6-3-7-15-9-13/h4-5,8H,3,6-7H2,1-2H3