methyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate

Systemtic Name: methyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Openeye Name: methyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate CAS Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid methyl ester IUPAC Name: methyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Traditional Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid methyl ester Formula: C19H20N2O12S2 MolecularWeight: 532.4983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O12S2/c1-31-19(22)16(33-35(29,30)18-12-5-3-9-15(18)21(25)26)10-6-7-13-32-34(27,28)17-11-4-2-8-14(17)20(23)24/h2-5,8-9,11-12,16H,6-7,10,13H2,1H3