(5,5-dimethylspiro[4H-1,3-benzodioxepine-2,1'-cyclopentane]-7-yl) methanesulfonate

Systemtic Name: (5,5-dimethylspiro[4H-1,3-benzodioxepine-2,1'-cyclopentane]-7-yl) methanesulfonate Openeye Name: (5,5-dimethylspiro[4H-1,3-benzodioxepine-2,1'-cyclopentane]-7-yl) methanesulfonate CAS Name: methanesulfonic acid (5,5-dimethyl-7-spiro[4H-1,3-benzodioxepin-2,1'-cyclopentane]yl) ester IUPAC Name: (5,5-dimethylspiro[4H-1,3-benzodioxepine-2,1'-cyclopentane]-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (5,5-dimethylspiro[4H-1,3-benzodioxepin-2,1'-cyclopentane]-7-yl) ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2(CCCC2)OC3=C1C=C(C=C3)OS(=O)(=O)C)C

Isomeric SMILES

CC1(COC2(CCCC2)OC3=C1C=C(C=C3)OS(=O)(=O)C)C

InChI

InChI=1S/C16H22O5S/c1-15(2)11-19-16(8-4-5-9-16)20-14-7-6-12(10-13(14)15)21-22(3,17)18/h6-7,10H,4-5,8-9,11H2,1-3H3