methyl 2-[2,4-dinitro-6-(phenylmethyl)sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[2,4-dinitro-6-(phenylmethyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-(2-benzylsulfonyl-4,6-dinitro-phenyl)acetate CAS Name: 2-[2,4-dinitro-6-(phenylmethyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-benzylsulfonyl-4,6-dinitrophenyl)acetate Traditional Name: 2-(2-benzylsulfonyl-4,6-dinitro-phenyl)acetic acid methyl ester Formula: C16H14N2O8S MolecularWeight: 394.35596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O8S/c1-26-16(19)9-13-14(18(22)23)7-12(17(20)21)8-15(13)27(24,25)10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3