trimethyl (3aS,6aR)-6a-(phenylsulfonyl)-3,4-dihydro-1H-pentalene-2,2,3a-tricarboxylate

Systemtic Name: trimethyl (3aS,6aR)-6a-(phenylsulfonyl)-3,4-dihydro-1H-pentalene-2,2,3a-tricarboxylate Openeye Name: trimethyl (3aS,6aR)-6a-(benzenesulfonyl)-3,4-dihydro-1H-pentalene-2,2,3a-tricarboxylate CAS Name: (3aS,6aR)-6a-(benzenesulfonyl)-3,4-dihydro-1H-pentalene-2,2,3a-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (3aS,6aR)-6a-(benzenesulfonyl)-3,4-dihydro-1H-pentalene-2,2,3a-tricarboxylate Traditional Name: (3aS,6aR)-6a-besyl-3,4-dihydro-1H-pentalene-2,2,3a-tricarboxylic acid trimethyl ester Formula: C20H22O8S MolecularWeight: 422.44888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC=CC1(CC(C2)(C(=O)OC)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@]12CC=C[C@@]1(CC(C2)(C(=O)OC)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22O8S/c1-26-15(21)18(16(22)27-2)12-19(17(23)28-3)10-7-11-20(19,13-18)29(24,25)14-8-5-4-6-9-14/h4-9,11H,10,12-13H2,1-3H3/t19-,20-/m0/s1