(4-nitro-2-thiophen-2-yl-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C17H12N2O7S2 MolecularWeight: 420.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H12N2O7S2/c1-11-4-5-13(19(22)23)10-17(11)28(24,25)26-15-7-6-12(18(20)21)9-14(15)16-3-2-8-27-16/h2-10H,1H3