[3-isothiocyanato-4-[(E)-3-oxidanylprop-1-enyl]phenyl] methanesulfonate

Systemtic Name: [3-isothiocyanato-4-[(E)-3-oxidanylprop-1-enyl]phenyl] methanesulfonate Openeye Name: [4-[(E)-3-hydroxyprop-1-enyl]-3-isothiocyanato-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(E)-3-hydroxyprop-1-enyl]-3-isothiocyanatophenyl] ester IUPAC Name: [4-[(E)-3-hydroxyprop-1-enyl]-3-isothiocyanatophenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(E)-3-hydroxyprop-1-enyl]-3-isothiocyanato-phenyl] ester Formula: C11H11NO4S2 MolecularWeight: 285.33934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)C=CCO)N=C=S

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)/C=C/CO)N=C=S

InChI

InChI=1S/C11H11NO4S2/c1-18(14,15)16-10-5-4-9(3-2-6-13)11(7-10)12-8-17/h2-5,7,13H,6H2,1H3/b3-2+