4-chloranyl-3-nitro-5-sulfino-benzoic acid

Systemtic Name: 4-chloranyl-3-nitro-5-sulfino-benzoic acid Openeye Name: 4-chloro-3-nitro-5-sulfino-benzoic acid CAS Name: 4-chloro-3-nitro-5-sulfinobenzoic acid IUPAC Name: 4-chloro-3-nitro-5-sulfinobenzoic acid Traditional Name: 4-chloro-3-nitro-5-sulfino-benzoic acid Formula: C7H4ClNO6S MolecularWeight: 265.62776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4ClNO6S/c8-6-4(9(12)13)1-3(7(10)11)2-5(6)16(14)15/h1-2H,(H,10,11)(H,14,15)