[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-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] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C19H18O6S MolecularWeight: 374.40762

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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)OCCO4

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H18O6S/c1-11-3-5-16(19-14(20)9-12(2)18(11)19)25-26(21,22)13-4-6-15-17(10-13)24-8-7-23-15/h3-6,10,12H,7-9H2,1-2H3/t12-/m0/s1