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

Systemtic Name: 5-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfonyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium Openeye Name: 3-methylsulfonyl-2-oxido-5-[(E)-2-(p-tolyl)vinyl]-4,5-dihydroisoxazol-2-ium CAS Name: 5-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfonyl-2-oxido-4,5-dihydroisoxazol-2-ium IUPAC Name: 5-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfonyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium Traditional Name: 3-mesyl-2-oxido-5-[(E)-2-(p-tolyl)vinyl]-2-isoxazolin-2-ium Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2CC(=[N+](O2)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2CC(=[N+](O2)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H15NO4S/c1-10-3-5-11(6-4-10)7-8-12-9-13(14(15)18-12)19(2,16)17/h3-8,12H,9H2,1-2H3/b8-7+