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

Systemtic Name: butyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Openeye Name: butyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate CAS Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid butyl ester IUPAC Name: butyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Traditional Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid butyl ester Formula: C22H26N2O12S2 MolecularWeight: 574.57804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C22H26N2O12S2/c1-2-3-15-34-22(25)19(36-38(32,33)21-14-7-5-11-18(21)24(28)29)12-8-9-16-35-37(30,31)20-13-6-4-10-17(20)23(26)27/h4-7,10-11,13-14,19H,2-3,8-9,12,15-16H2,1H3