3-chloranylsulfonyl-4-methyl-5-nitro-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-methyl-5-nitro-benzoic acid Openeye Name: 3-chlorosulfonyl-4-methyl-5-nitro-benzoic acid CAS Name: 3-chlorosulfonyl-4-methyl-5-nitrobenzoic acid IUPAC Name: 3-chlorosulfonyl-4-methyl-5-nitrobenzoic acid Traditional Name: 3-chlorosulfonyl-4-methyl-5-nitro-benzoic acid Formula: C8H6ClNO6S MolecularWeight: 279.65434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H6ClNO6S/c1-4-6(10(13)14)2-5(8(11)12)3-7(4)17(9,15)16/h2-3H,1H3,(H,11,12)