(4-hexoxyphenyl)-isothiocyanato-methanone

Systemtic Name: (4-hexoxyphenyl)-isothiocyanato-methanone Openeye Name: 4-hexoxybenzoyl isothiocyanate CAS Name: (4-hexoxyphenyl)-isothiocyanatomethanone IUPAC Name: 4-hexoxybenzoyl isothiocyanate Traditional Name: (4-hexoxyphenyl)-isothiocyanato-methanone Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N=C=S

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N=C=S

InChI

InChI=1S/C14H17NO2S/c1-2-3-4-5-10-17-13-8-6-12(7-9-13)14(16)15-11-18/h6-9H,2-5,10H2,1H3