3,5-dinitro-2-(phenylmethylsulfanyl)benzoate

Systemtic Name: 3,5-dinitro-2-(phenylmethylsulfanyl)benzoate Openeye Name: 2-benzylsulfanyl-3,5-dinitro-benzoate CAS Name: 3,5-dinitro-2-(phenylmethylthio)benzoate IUPAC Name: 2-benzylsulfanyl-3,5-dinitrobenzoate Traditional Name: 2-(benzylthio)-3,5-dinitro-benzoate Formula: C14H9N2O6S- MolecularWeight: 333.29606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O6S/c17-14(18)11-6-10(15(19)20)7-12(16(21)22)13(11)23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)/p-1