4-[(2S)-butan-2-yl]sulfanyl-3-nitro-benzoate

Systemtic Name: 4-[(2S)-butan-2-yl]sulfanyl-3-nitro-benzoate Openeye Name: 4-[(1S)-1-methylpropyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[(2S)-butan-2-yl]thio]-3-nitrobenzoate IUPAC Name: 4-[(2S)-butan-2-yl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[(1S)-1-methylpropyl]thio]-3-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)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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