2-[(2S)-butan-2-yl]sulfanyl-5-nitro-benzoate

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-5-nitro-benzoate Openeye Name: 2-[(1S)-1-methylpropyl]sulfanyl-5-nitro-benzoate CAS Name: 2-[[(2S)-butan-2-yl]thio]-5-nitrobenzoate IUPAC Name: 2-[(2S)-butan-2-yl]sulfanyl-5-nitrobenzoate Traditional Name: 2-[[(1S)-1-methylpropyl]thio]-5-nitro-benzoate Formula: C11H12NO4S- MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[C@H](C)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-3-7(2)17-10-5-4-8(12(15)16)6-9(10)11(13)14/h4-7H,3H2,1-2H3,(H,13,14)/p-1/t7-/m0/s1