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

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-formyl-4-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-formyl-4-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)[N+](=O)[O-])C=O

Isomeric SMILES

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

InChI

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