[2-nitro-5-(phenylsulfonyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-nitro-5-(phenylsulfonyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [5-(benzenesulfonyl)-2-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(benzenesulfonyl)-2-nitrophenyl] ester IUPAC Name: [5-(benzenesulfonyl)-2-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-besyl-2-nitro-phenyl) ester Formula: C19H15NO7S2 MolecularWeight: 433.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO7S2/c1-14-7-9-16(10-8-14)29(25,26)27-19-13-17(11-12-18(19)20(21)22)28(23,24)15-5-3-2-4-6-15/h2-13H,1H3