S-(3-methylbutan-2-yl) 2-chloranyl-4-nitro-benzenecarbothioate

Systemtic Name: S-(3-methylbutan-2-yl) 2-chloranyl-4-nitro-benzenecarbothioate Openeye Name: S-(1,2-dimethylpropyl) 2-chloro-4-nitro-benzenecarbothioate CAS Name: 2-chloro-4-nitrobenzenecarbothioic acid S-(3-methylbutan-2-yl) ester IUPAC Name: S-(3-methylbutan-2-yl) 2-chloro-4-nitrobenzenecarbothioate Traditional Name: 2-chloro-4-nitro-thiobenzoic acid S-(1,2-dimethylpropyl) ester Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)SC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C)SC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClNO3S/c1-7(2)8(3)18-12(15)10-5-4-9(14(16)17)6-11(10)13/h4-8H,1-3H3