(4-nitrophenyl)sulfonylmethyl 4-methylbenzenesulfonate

Systemtic Name: (4-nitrophenyl)sulfonylmethyl 4-methylbenzenesulfonate Openeye Name: (4-nitrophenyl)sulfonylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-nitrophenyl)sulfonylmethyl ester IUPAC Name: (4-nitrophenyl)sulfonylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid nosylmethyl ester Formula: C14H13NO7S2 MolecularWeight: 371.38552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO7S2/c1-11-2-6-14(7-3-11)24(20,21)22-10-23(18,19)13-8-4-12(5-9-13)15(16)17/h2-9H,10H2,1H3