[(1R,5R,6S)-3-ethoxycarbonyl-5,6-bis(methylsulfonyloxy)cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1R,5R,6S)-3-ethoxycarbonyl-5,6-bis(methylsulfonyloxy)cyclohex-3-en-1-yl] benzoate Openeye Name: [(1R,5R,6S)-3-ethoxycarbonyl-5,6-bis(methylsulfonyloxy)cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5R,6S)-3-ethoxycarbonyl-5,6-bis(methylsulfonyloxy)-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R,6S)-3-ethoxycarbonyl-5,6-bis(methylsulfonyloxy)cyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5R,6S)-3-carbethoxy-5,6-bis(methylsulfonyloxy)cyclohex-3-en-1-yl] ester Formula: C18H22O10S2 MolecularWeight: 462.49128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C18H22O10S2/c1-4-25-17(19)13-10-14(26-18(20)12-8-6-5-7-9-12)16(28-30(3,23)24)15(11-13)27-29(2,21)22/h5-9,11,14-16H,4,10H2,1-3H3/t14-,15-,16+/m1/s1