(4-nitrooxysulfonylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-nitrooxysulfonylphenyl) 4-methylbenzenesulfonate Openeye Name: (4-nitrooxysulfonylphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-nitrooxysulfonylphenyl) ester IUPAC Name: (4-nitrooxysulfonylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-nitrooxysulfonylphenyl) ester Formula: C13H11NO8S2 MolecularWeight: 373.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO8S2/c1-10-2-6-12(7-3-10)23(17,18)21-11-4-8-13(9-5-11)24(19,20)22-14(15)16/h2-9H,1H3