(5,5-dimethyl-2-phenyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate

Systemtic Name: (5,5-dimethyl-2-phenyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Openeye Name: (5,5-dimethyl-2-phenyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate CAS Name: methanesulfonic acid (5,5-dimethyl-2-phenyl-4H-1,3-benzodioxepin-7-yl) ester IUPAC Name: (5,5-dimethyl-2-phenyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (5,5-dimethyl-2-phenyl-4H-1,3-benzodioxepin-7-yl) ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC2=C1C=C(C=C2)OS(=O)(=O)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1(COC(OC2=C1C=C(C=C2)OS(=O)(=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C18H20O5S/c1-18(2)12-21-17(13-7-5-4-6-8-13)22-16-10-9-14(11-15(16)18)23-24(3,19)20/h4-11,17H,12H2,1-3H3