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

Systemtic Name: propan-2-yl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Openeye Name: isopropyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate CAS Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Traditional Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid isopropyl ester Formula: C21H24N2O12S2 MolecularWeight: 560.55146

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H24N2O12S2/c1-15(2)34-21(24)18(35-37(31,32)20-13-6-4-10-17(20)23(27)28)11-7-8-14-33-36(29,30)19-12-5-3-9-16(19)22(25)26/h3-6,9-10,12-13,15,18H,7-8,11,14H2,1-2H3