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

Systemtic Name: propan-2-yl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Openeye Name: isopropyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate CAS Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Traditional Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butyric acid isopropyl ester Formula: C19H20N2O12S2 MolecularWeight: 532.4983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=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/C19H20N2O12S2/c1-13(2)32-19(22)16(33-35(29,30)18-10-6-4-8-15(18)21(25)26)11-12-31-34(27,28)17-9-5-3-7-14(17)20(23)24/h3-10,13,16H,11-12H2,1-2H3