(4-methanoyl-2-nitro-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-methanoyl-2-nitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (4-formyl-2-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-formyl-2-nitrophenyl) ester IUPAC Name: (4-formyl-2-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-formyl-2-nitro-phenyl) ester Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO6S/c1-10-2-5-12(6-3-10)22(19,20)21-14-7-4-11(9-16)8-13(14)15(17)18/h2-9H,1H3