[2,4-bis(chloranyloxy)-4,5-diethanoyl-2-isocyano-5-oxidanyl-6-(1-oxidanyl-2-oxidanylidene-propyl)oxan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2,4-bis(chloranyloxy)-4,5-diethanoyl-2-isocyano-5-oxidanyl-6-(1-oxidanyl-2-oxidanylidene-propyl)oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [4,5-diacetyl-2,4-dichlorooxy-5-hydroxy-6-(1-hydroxy-2-oxo-propyl)-2-isocyano-tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,5-diacetyl-2,4-dichlorooxy-5-hydroxy-6-(1-hydroxy-2-oxopropyl)-2-isocyano-3-oxanyl] ester IUPAC Name: [4,5-diacetyl-2,4-dichlorooxy-5-hydroxy-6-(1-hydroxy-2-oxopropyl)-2-isocyanooxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4,5-diacetyl-2,4-dichlorooxy-5-hydroxy-6-(1-hydroxy-2-keto-propyl)-2-isocyano-tetrahydropyran-3-yl] ester Formula: C20H21Cl2NO11S MolecularWeight: 554.35184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2([N+]#[C-])OCl)C(C(=O)C)O)(C(=O)C)O)(C(=O)C)OCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2([N+]#[C-])OCl)C(C(=O)C)O)(C(=O)C)O)(C(=O)C)OCl

InChI

InChI=1S/C20H21Cl2NO11S/c1-10-6-8-14(9-7-10)35(29,30)32-17-19(33-21,13(4)26)18(28,12(3)25)16(15(27)11(2)24)31-20(17,23-5)34-22/h6-9,15-17,27-28H,1-4H3