[1,6-dimethyl-7,8-bis(oxidanylidene)-4,9-di(propan-2-yl)dibenzo-p-dioxin-2-yl] methanesulfonate

Systemtic Name: [1,6-dimethyl-7,8-bis(oxidanylidene)-4,9-di(propan-2-yl)dibenzo-p-dioxin-2-yl] methanesulfonate Openeye Name: (4,9-diisopropyl-1,6-dimethyl-7,8-dioxo-dibenzo-p-dioxin-2-yl) methanesulfonate CAS Name: methanesulfonic acid [1,6-dimethyl-7,8-dioxo-4,9-di(propan-2-yl)-2-dibenzo-p-dioxinyl] ester IUPAC Name: [1,6-dimethyl-7,8-dioxo-4,9-di(propan-2-yl)dibenzo-p-dioxin-2-yl] methanesulfonate Traditional Name: methanesulfonic acid (4,9-diisopropyl-7,8-diketo-1,6-dimethyl-dibenzo-p-dioxin-2-yl) ester Formula: C21H24O7S MolecularWeight: 420.47606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1OC3=C(C(=O)C(=O)C(=C3O2)C)C(C)C)C(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C2=C1OC3=C(C(=O)C(=O)C(=C3O2)C)C(C)C)C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C21H24O7S/c1-9(2)13-8-14(28-29(7,24)25)11(5)18-20(13)26-19-12(6)16(22)17(23)15(10(3)4)21(19)27-18/h8-10H,1-7H3