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

Systemtic Name: (5,5-dimethylspiro[4H-1,3-benzodioxepine-2,1'-cyclohexane]-7-yl) methanesulfonate Openeye Name: (5,5-dimethylspiro[4H-1,3-benzodioxepine-2,1'-cyclohexane]-7-yl) methanesulfonate CAS Name: methanesulfonic acid (5,5-dimethyl-7-spiro[4H-1,3-benzodioxepin-2,1'-cyclohexane]yl) ester IUPAC Name: (5,5-dimethylspiro[4H-1,3-benzodioxepine-2,1'-cyclohexane]-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (5,5-dimethylspiro[4H-1,3-benzodioxepin-2,1'-cyclohexane]-7-yl) ester Formula: C17H24O5S MolecularWeight: 340.43446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2(CCCCC2)OC3=C1C=C(C=C3)OS(=O)(=O)C)C

Isomeric SMILES

CC1(COC2(CCCCC2)OC3=C1C=C(C=C3)OS(=O)(=O)C)C

InChI

InChI=1S/C17H24O5S/c1-16(2)12-20-17(9-5-4-6-10-17)21-15-8-7-13(11-14(15)16)22-23(3,18)19/h7-8,11H,4-6,9-10,12H2,1-3H3