(3-nitrophenyl) 4-methylbenzenesulfonate

Systemtic Name: (3-nitrophenyl) 4-methylbenzenesulfonate Openeye Name: (3-nitrophenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-nitrophenyl) ester Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3