4-chloranyl-3-methyl-5-nitro-benzenesulfonic acid; sodium

Systemtic Name: 4-chloranyl-3-methyl-5-nitro-benzenesulfonic acid; sodium Openeye Name: 4-chloro-3-methyl-5-nitro-benzenesulfonic acid; sodium CAS Name: 4-chloro-3-methyl-5-nitrobenzenesulfonic acid; sodium IUPAC Name: 4-chloro-3-methyl-5-nitrobenzenesulfonic acid; sodium Traditional Name: 4-chloro-3-methyl-5-nitro-besylic acid; sodium Formula: C7H6ClNNaO5S MolecularWeight: 274.63401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)[N+](=O)[O-])S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)[N+](=O)[O-])S(=O)(=O)O.[Na]

InChI

InChI=1S/C7H6ClNO5S.Na/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11;/h2-3H,1H3,(H,12,13,14);