[4-[(Z)-2-(hydroxymethyl)-4-oxidanyl-but-2-enyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-[(Z)-2-(hydroxymethyl)-4-oxidanyl-but-2-enyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [4-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(Z)-4-hydroxy-2-methylol-but-2-enyl]-2-methoxy-phenyl] ester Formula: C13H18O6S MolecularWeight: 302.34342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O6S/c1-18-13-8-10(7-11(9-15)5-6-14)3-4-12(13)19-20(2,16)17/h3-5,8,14-15H,6-7,9H2,1-2H3/b11-5-