2-[(2-cyano-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanesulfonate

Systemtic Name: 2-[(2-cyano-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanesulfonate Openeye Name: 2-[(2-cyano-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]ethanesulfonate CAS Name: 2-[(2-cyano-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]ethanesulfonate IUPAC Name: 2-[(2-cyano-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethanesulfonate Traditional Name: 2-[(2-cyano-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]ethanesulfonate Formula: C11H15N2O4S- MolecularWeight: 271.3128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C#N)NCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C#N)NCCS(=O)(=O)[O-])C

InChI

InChI=1S/C11H16N2O4S/c1-11(2)5-9(8(7-12)10(14)6-11)13-3-4-18(15,16)17/h13H,3-6H2,1-2H3,(H,15,16,17)/p-1