(4-nitro-2-thiophen-2-yl-phenyl) 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-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=CC=C1S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3)[N+](=O)[O-]

InChI

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