[2-(chloromethyl)-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate

Systemtic Name: [2-(chloromethyl)-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate Openeye Name: [2-(chloromethyl)-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(chloromethyl)-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl] ester IUPAC Name: [2-(chloromethyl)-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(chloromethyl)-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl] ester Formula: C14H19ClO5S MolecularWeight: 334.81566

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC2=C1C=C(C=C2)OS(=O)(=O)C)(C)CCl)C

Isomeric SMILES

CC1(COC(OC2=C1C=C(C=C2)OS(=O)(=O)C)(C)CCl)C

InChI

InChI=1S/C14H19ClO5S/c1-13(2)9-18-14(3,8-15)19-12-6-5-10(7-11(12)13)20-21(4,16)17/h5-7H,8-9H2,1-4H3