[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20O6S/c1-12-4-6-17(20-15(21)10-13(2)19(12)20)26-27(22,23)14-5-7-16-18(11-14)25-9-3-8-24-16/h4-7,11,13H,3,8-10H2,1-2H3/t13-/m0/s1