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

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-benzenesulfonic acid Openeye Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid IUPAC Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid Traditional Name: 3-chloro-4-methyl-5-nitro-besylic acid Formula: C7H6ClNO5S MolecularWeight: 251.64424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl

InChI

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