4-(4-chloranyl-3-methyl-phenoxy)butyl thiocyanate

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)butyl thiocyanate Openeye Name: 4-(4-chloro-3-methyl-phenoxy)butyl thiocyanate CAS Name: thiocyanic acid 4-(4-chloro-3-methylphenoxy)butyl ester IUPAC Name: 4-(4-chloro-3-methylphenoxy)butyl thiocyanate Traditional Name: thiocyanic acid 4-(4-chloro-3-methyl-phenoxy)butyl ester Formula: C12H14ClNOS MolecularWeight: 255.76366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCSC#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCSC#N)Cl

InChI

InChI=1S/C12H14ClNOS/c1-10-8-11(4-5-12(10)13)15-6-2-3-7-16-9-14/h4-5,8H,2-3,6-7H2,1H3