ethyl 3,5-dinitro-2-(phenylsulfanylmethoxy)benzoate

Systemtic Name: ethyl 3,5-dinitro-2-(phenylsulfanylmethoxy)benzoate Openeye Name: ethyl 3,5-dinitro-2-(phenylsulfanylmethoxy)benzoate CAS Name: 3,5-dinitro-2-[(phenylthio)methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3,5-dinitro-2-(phenylsulfanylmethoxy)benzoate Traditional Name: 3,5-dinitro-2-[(phenylthio)methoxy]benzoic acid ethyl ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1OCSC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1OCSC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7S/c1-2-24-16(19)13-8-11(17(20)21)9-14(18(22)23)15(13)25-10-26-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3