(5-methyl-2-nitro-phenyl) 3,5-dimethyl-4-oxidanyl-benzenesulfonate

Systemtic Name: (5-methyl-2-nitro-phenyl) 3,5-dimethyl-4-oxidanyl-benzenesulfonate Openeye Name: (5-methyl-2-nitro-phenyl) 4-hydroxy-3,5-dimethyl-benzenesulfonate CAS Name: 4-hydroxy-3,5-dimethylbenzenesulfonic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 4-hydroxy-3,5-dimethylbenzenesulfonate Traditional Name: 4-hydroxy-3,5-dimethyl-benzenesulfonic acid (5-methyl-2-nitro-phenyl) ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OS(=O)(=O)C2=CC(=C(C(=C2)C)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OS(=O)(=O)C2=CC(=C(C(=C2)C)O)C

InChI

InChI=1S/C15H15NO6S/c1-9-4-5-13(16(18)19)14(6-9)22-23(20,21)12-7-10(2)15(17)11(3)8-12/h4-8,17H,1-3H3