[2-nitro-6-(3-nitrophenyl)phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-nitro-6-(3-nitrophenyl)phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-nitro-6-(3-nitrophenyl)phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-nitro-6-(3-nitrophenyl)phenyl]methyl ester IUPAC Name: [2-nitro-6-(3-nitrophenyl)phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-nitro-6-(3-nitrophenyl)benzyl] ester Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7S/c1-14-8-10-17(11-9-14)30(27,28)29-13-19-18(6-3-7-20(19)22(25)26)15-4-2-5-16(12-15)21(23)24/h2-12H,13H2,1H3