[nitro-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [nitro-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate Openeye Name: [nitro-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [nitro-(2-nitrophenyl)methyl] ester IUPAC Name: [nitro-(2-nitrophenyl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [nitro-(2-nitrophenyl)methyl] ester Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O7S/c1-10-6-8-11(9-7-10)24(21,22)23-14(16(19)20)12-4-2-3-5-13(12)15(17)18/h2-9,14H,1H3