(3,4-dibutoxyphenyl)methyl thiocyanate

Systemtic Name: (3,4-dibutoxyphenyl)methyl thiocyanate Openeye Name: (3,4-dibutoxyphenyl)methyl thiocyanate CAS Name: thiocyanic acid (3,4-dibutoxyphenyl)methyl ester IUPAC Name: (3,4-dibutoxyphenyl)methyl thiocyanate Traditional Name: thiocyanic acid (3,4-dibutoxybenzyl) ester Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC#N)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC#N)OCCCC

InChI

InChI=1S/C16H23NO2S/c1-3-5-9-18-15-8-7-14(12-20-13-17)11-16(15)19-10-6-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3