[2-iodanyl-6-methoxy-4-[(E)-3-oxidanylprop-1-enyl]phenyl] methanesulfonate

Systemtic Name: [2-iodanyl-6-methoxy-4-[(E)-3-oxidanylprop-1-enyl]phenyl] methanesulfonate Openeye Name: [4-[(E)-3-hydroxyprop-1-enyl]-2-iodo-6-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(E)-3-hydroxyprop-1-enyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-hydroxyprop-1-enyl]-2-iodo-6-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(E)-3-hydroxyprop-1-enyl]-2-iodo-6-methoxy-phenyl] ester Formula: C11H13IO5S MolecularWeight: 384.18739

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CCO)I)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/CO)I)OS(=O)(=O)C

InChI

InChI=1S/C11H13IO5S/c1-16-10-7-8(4-3-5-13)6-9(12)11(10)17-18(2,14)15/h3-4,6-7,13H,5H2,1-2H3/b4-3+