[5-(4-chloranyl-2-nitro-phenyl)carbonyl-4,6-bis(oxidanylidene)oxan-2-yl]methyl methanesulfonate

Systemtic Name: [5-(4-chloranyl-2-nitro-phenyl)carbonyl-4,6-bis(oxidanylidene)oxan-2-yl]methyl methanesulfonate Openeye Name: [5-(4-chloro-2-nitro-benzoyl)-4,6-dioxo-tetrahydropyran-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-[(4-chloro-2-nitrophenyl)-oxomethyl]-4,6-dioxo-2-oxanyl]methyl ester IUPAC Name: [5-(4-chloro-2-nitrobenzoyl)-4,6-dioxooxan-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(4-chloro-2-nitro-benzoyl)-4,6-diketo-tetrahydropyran-2-yl]methyl ester Formula: C14H12ClNO9S MolecularWeight: 405.76438

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CC(=O)C(C(=O)O1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCC1CC(=O)C(C(=O)O1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClNO9S/c1-26(22,23)24-6-8-5-11(17)12(14(19)25-8)13(18)9-3-2-7(15)4-10(9)16(20)21/h2-4,8,12H,5-6H2,1H3