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

Systemtic Name: propan-2-yl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Openeye Name: isopropyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate CAS Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Traditional Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]valeric acid isopropyl ester Formula: C20H22N2O12S2 MolecularWeight: 546.52488

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22N2O12S2/c1-14(2)33-20(23)17(34-36(30,31)19-12-6-4-9-16(19)22(26)27)10-7-13-32-35(28,29)18-11-5-3-8-15(18)21(24)25/h3-6,8-9,11-12,14,17H,7,10,13H2,1-2H3