4-chloranylsulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-chloranylsulfanyl-3-nitro-benzoic acid Openeye Name: 4-chlorosulfanyl-3-nitro-benzoic acid CAS Name: 4-(chlorothio)-3-nitrobenzoic acid IUPAC Name: 4-chlorosulfanyl-3-nitrobenzoic acid Traditional Name: 4-(chlorothio)-3-nitro-benzoic acid Formula: C7H4ClNO4S MolecularWeight: 239.584889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SCl

Isomeric SMILES

[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1C(=O)O)[N+](=O)[O-])SCl

InChI

InChI=1S/C7H4ClNO4S/c8-14-6-2-1-4(7(10)11)3-5(6)9(12)13/h1-3H,(H,10,11)/i1+1,2+1,3+1,4+1,5+1,6+1