S-(2-chloroethyl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(2-chloroethyl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(2-chloroethyl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(2-chloroethyl) ester IUPAC Name: S-(2-chloroethyl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(2-chloroethyl) ester Formula: C9H7ClN2O5S MolecularWeight: 290.68028

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)SCCCl

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)SCCCl

InChI

InChI=1S/C9H7ClN2O5S/c10-1-2-18-9(13)6-3-7(11(14)15)5-8(4-6)12(16)17/h3-5H,1-2H2