(3-methyl-1,2-oxazol-5-yl)methoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: (3-methylisoxazol-5-yl)methoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: (3-methyl-5-isoxazolyl)methoxy-(6-methylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: (6-mesyliminocyclohexa-2,4-dien-1-ylidene)-[(3-methylisoxazol-5-yl)methoxy]methanolate Formula: C13H13N2O5S- MolecularWeight: 309.31772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=C2C=CC=CC2=NS(=O)(=O)C)[O-]

Isomeric SMILES

CC1=NOC(=C1)COC(=C2C=CC=CC2=NS(=O)(=O)C)[O-]

InChI

InChI=1S/C13H14N2O5S/c1-9-7-10(20-14-9)8-19-13(16)11-5-3-4-6-12(11)15-21(2,17)18/h3-7,16H,8H2,1-2H3/p-1