3,6-bis(chloranyl)-4-methyl-2-nitro-benzenesulfonic acid

Systemtic Name: 3,6-bis(chloranyl)-4-methyl-2-nitro-benzenesulfonic acid Openeye Name: 3,6-dichloro-4-methyl-2-nitro-benzenesulfonic acid CAS Name: 3,6-dichloro-4-methyl-2-nitrobenzenesulfonic acid IUPAC Name: 3,6-dichloro-4-methyl-2-nitrobenzenesulfonic acid Traditional Name: 3,6-dichloro-4-methyl-2-nitro-besylic acid Formula: C7H5Cl2NO5S MolecularWeight: 286.0893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)[N+](=O)[O-])S(=O)(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)[N+](=O)[O-])S(=O)(=O)O)Cl

InChI

InChI=1S/C7H5Cl2NO5S/c1-3-2-4(8)7(16(13,14)15)6(5(3)9)10(11)12/h2H,1H3,(H,13,14,15)