butyl 3,5-dinitro-4-phenylsulfanyl-benzoate

Systemtic Name: butyl 3,5-dinitro-4-phenylsulfanyl-benzoate Openeye Name: butyl 3,5-dinitro-4-phenylsulfanyl-benzoate CAS Name: 3,5-dinitro-4-(phenylthio)benzoic acid butyl ester IUPAC Name: butyl 3,5-dinitro-4-phenylsulfanylbenzoate Traditional Name: 3,5-dinitro-4-(phenylthio)benzoic acid butyl ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c1-2-3-9-25-17(20)12-10-14(18(21)22)16(15(11-12)19(23)24)26-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9H2,1H3