[2-methoxy-4-[2-[3-methoxy-2-methylsulfonyloxy-5-[(E)-3-oxidanylprop-1-enyl]phenyl]ethynyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-4-[2-[3-methoxy-2-methylsulfonyloxy-5-[(E)-3-oxidanylprop-1-enyl]phenyl]ethynyl]phenyl] methanesulfonate Openeye Name: [4-[2-[5-[(E)-3-hydroxyprop-1-enyl]-3-methoxy-2-methylsulfonyloxy-phenyl]ethynyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-[5-[(E)-3-hydroxyprop-1-enyl]-3-methoxy-2-methylsulfonyloxyphenyl]ethynyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-[5-[(E)-3-hydroxyprop-1-enyl]-3-methoxy-2-methylsulfonyloxyphenyl]ethynyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-[5-[(E)-3-hydroxyprop-1-enyl]-3-methoxy-2-methylsulfonyloxy-phenyl]ethynyl]-2-methoxy-phenyl] ester Formula: C21H22O9S2 MolecularWeight: 482.52398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#CC2=CC(=CC(=C2OS(=O)(=O)C)OC)C=CCO)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C#CC2=CC(=CC(=C2OS(=O)(=O)C)OC)/C=C/CO)OS(=O)(=O)C

InChI

InChI=1S/C21H22O9S2/c1-27-19-13-15(8-10-18(19)29-31(3,23)24)7-9-17-12-16(6-5-11-22)14-20(28-2)21(17)30-32(4,25)26/h5-6,8,10,12-14,22H,11H2,1-4H3/b6-5+