5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfonyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium

Systemtic Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfonyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium Openeye Name: 5-[(E)-2-(4-methoxyphenyl)vinyl]-3-methylsulfonyl-2-oxido-4,5-dihydroisoxazol-2-ium CAS Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfonyl-2-oxido-4,5-dihydroisoxazol-2-ium IUPAC Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfonyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium Traditional Name: 3-mesyl-5-[(E)-2-(4-methoxyphenyl)vinyl]-2-oxido-2-isoxazolin-2-ium Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2CC(=[N+](O2)[O-])S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2CC(=[N+](O2)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H15NO5S/c1-18-11-6-3-10(4-7-11)5-8-12-9-13(14(15)19-12)20(2,16)17/h3-8,12H,9H2,1-2H3/b8-5+