[2-(3-nitrophenyl)-1-propoxy-ethyl] thiocyanate

Systemtic Name: [2-(3-nitrophenyl)-1-propoxy-ethyl] thiocyanate Openeye Name: [2-(3-nitrophenyl)-1-propoxy-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(3-nitrophenyl)-1-propoxyethyl] ester IUPAC Name: [2-(3-nitrophenyl)-1-propoxyethyl] thiocyanate Traditional Name: thiocyanic acid [2-(3-nitrophenyl)-1-propoxy-ethyl] ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC(=CC=C1)[N+](=O)[O-])SC#N

Isomeric SMILES

CCCOC(CC1=CC(=CC=C1)[N+](=O)[O-])SC#N

InChI

InChI=1S/C12H14N2O3S/c1-2-6-17-12(18-9-13)8-10-4-3-5-11(7-10)14(15)16/h3-5,7,12H,2,6,8H2,1H3