nitro 4-methylbenzenesulfonate

Systemtic Name: nitro 4-methylbenzenesulfonate Openeye Name: nitro 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid nitro ester IUPAC Name: nitro 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid nitro ester Formula: C7H7NO5S MolecularWeight: 217.19918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S/c1-6-2-4-7(5-3-6)14(11,12)13-8(9)10/h2-5H,1H3