5-(3,4-dimethylphenoxy)pentyl thiocyanate

Systemtic Name: 5-(3,4-dimethylphenoxy)pentyl thiocyanate Openeye Name: 5-(3,4-dimethylphenoxy)pentyl thiocyanate CAS Name: thiocyanic acid 5-(3,4-dimethylphenoxy)pentyl ester IUPAC Name: 5-(3,4-dimethylphenoxy)pentyl thiocyanate Traditional Name: thiocyanic acid 5-(3,4-dimethylphenoxy)pentyl ester Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NOS/c1-12-6-7-14(10-13(12)2)16-8-4-3-5-9-17-11-15/h6-7,10H,3-5,8-9H2,1-2H3