[(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-(nitromethyl)-6-oxidanyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-ethoxycarbonyloxy-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-(nitromethyl)-6-oxidanyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-ethoxycarbonyloxy-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-6-(nitromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-ethoxycarbonyloxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-6-(nitromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-ethoxycarbonyloxyethyl] ester IUPAC Name: [(2R)-2-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-6-(nitromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-ethoxycarbonyloxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-6-(nitromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-carbethoxyoxy-ethyl] ester Formula: C20H27NO12S MolecularWeight: 505.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(COS(=O)(=O)C1=CC=C(C=C1)C)C2C(C3C(O2)OC(O3)(C)C)(C[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)O[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)[C@@H]2[C@@]([C@@H]3[C@H](O2)OC(O3)(C)C)(C[N+](=O)[O-])O

InChI

InChI=1S/C20H27NO12S/c1-5-28-18(22)30-14(10-29-34(26,27)13-8-6-12(2)7-9-13)15-20(23,11-21(24)25)16-17(31-15)33-19(3,4)32-16/h6-9,14-17,23H,5,10-11H2,1-4H3/t14-,15-,16+,17-,20-/m1/s1