[3-(3-bromanyl-2,4,6-trimethyl-phenyl)-8-methoxy-2-oxidanylidene-spiro[4.5]dec-3-en-4-yl] methanesulfonate

Systemtic Name: [3-(3-bromanyl-2,4,6-trimethyl-phenyl)-8-methoxy-2-oxidanylidene-spiro[4.5]dec-3-en-4-yl] methanesulfonate Openeye Name: [3-(3-bromo-2,4,6-trimethyl-phenyl)-8-methoxy-2-oxo-spiro[4.5]dec-3-en-4-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(3-bromo-2,4,6-trimethylphenyl)-8-methoxy-2-oxo-4-spiro[4.5]dec-3-enyl] ester IUPAC Name: [3-(3-bromo-2,4,6-trimethylphenyl)-8-methoxy-2-oxospiro[4.5]dec-3-en-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(3-bromo-2,4,6-trimethyl-phenyl)-2-keto-8-methoxy-spiro[4.5]dec-3-en-4-yl] ester Formula: C21H27BrO5S MolecularWeight: 471.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2=C(C3(CCC(CC3)OC)CC2=O)OS(=O)(=O)C)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1C2=C(C3(CCC(CC3)OC)CC2=O)OS(=O)(=O)C)C)Br)C

InChI

InChI=1S/C21H27BrO5S/c1-12-10-13(2)19(22)14(3)17(12)18-16(23)11-21(20(18)27-28(5,24)25)8-6-15(26-4)7-9-21/h10,15H,6-9,11H2,1-5H3