5-(2,6-dimethyl-4-nitro-phenoxy)-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-(2,6-dimethyl-4-nitro-phenoxy)-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-(2,6-dimethyl-4-nitro-phenoxy)-2-hydroxy-benzenesulfonic acid CAS Name: 5-(2,6-dimethyl-4-nitrophenoxy)-2-hydroxybenzenesulfonic acid IUPAC Name: 5-(2,6-dimethyl-4-nitrophenoxy)-2-hydroxybenzenesulfonic acid Traditional Name: 5-(2,6-dimethyl-4-nitro-phenoxy)-2-hydroxy-besylic acid Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S/c1-8-5-10(15(17)18)6-9(2)14(8)22-11-3-4-12(16)13(7-11)23(19,20)21/h3-7,16H,1-2H3,(H,19,20,21)