[(Z)-3-oxidanylidenebutan-2-ylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-3-oxidanylidenebutan-2-ylideneamino] 4-methylbenzenesulfonate Openeye Name: [(Z)-(1-methyl-2-oxo-propylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-3-oxobutan-2-ylideneamino] ester IUPAC Name: [(Z)-3-oxobutan-2-ylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-(2-keto-1-methyl-propylidene)amino] ester Formula: C11H13NO4S MolecularWeight: 255.29022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C)\C(=O)C

InChI

InChI=1S/C11H13NO4S/c1-8-4-6-11(7-5-8)17(14,15)16-12-9(2)10(3)13/h4-7H,1-3H3/b12-9-