butyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate

Systemtic Name: butyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Openeye Name: butyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate CAS Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoic acid butyl ester IUPAC Name: butyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Traditional Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butyric acid butyl ester Formula: C20H22N2O12S2 MolecularWeight: 546.52488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O12S2/c1-2-3-13-32-20(23)17(34-36(30,31)19-11-7-5-9-16(19)22(26)27)12-14-33-35(28,29)18-10-6-4-8-15(18)21(24)25/h4-11,17H,2-3,12-14H2,1H3