2-butylsulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-butylsulfanyl-5-nitro-benzoic acid Openeye Name: 2-butylsulfanyl-5-nitro-benzoic acid CAS Name: 2-(butylthio)-5-nitrobenzoic acid IUPAC Name: 2-butylsulfanyl-5-nitrobenzoic acid Traditional Name: 2-(butylthio)-5-nitro-benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

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