methyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate

Systemtic Name: methyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Openeye Name: methyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate CAS Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoic acid methyl ester IUPAC Name: methyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Traditional Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]valeric acid methyl ester Formula: C18H18N2O12S2 MolecularWeight: 518.47172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O12S2/c1-30-18(21)15(32-34(28,29)17-11-5-3-8-14(17)20(24)25)9-6-12-31-33(26,27)16-10-4-2-7-13(16)19(22)23/h2-5,7-8,10-11,15H,6,9,12H2,1H3