potassium 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonyl-prop-2-enylidene]-1,3-thiazolidin-3-yl]butane-1-sulfonate

Systemtic Name: potassium 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonyl-prop-2-enylidene]-1,3-thiazolidin-3-yl]butane-1-sulfonate Openeye Name: potassium 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonyl-prop-2-enylidene]thiazolidin-3-yl]butane-1-sulfonate CAS Name: potassium 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonylprop-2-enylidene]-3-thiazolidinyl]-1-butanesulfonate IUPAC Name: potassium 4-[(2E)-2-[(E)-3-cyano-3-methylsulfonylprop-2-enylidene]-1,3-thiazolidin-3-yl]butane-1-sulfonate Traditional Name: potassium 4-[(2E)-2-[(E)-3-cyano-3-mesyl-prop-2-enylidene]thiazolidin-3-yl]butane-1-sulfonate Formula: C12H17KN2O5S3 MolecularWeight: 404.56708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC=C1N(CCS1)CCCCS(=O)(=O)[O-])C#N.[K+]

Isomeric SMILES

CS(=O)(=O)/C(=C/C=C/1\N(CCS1)CCCCS(=O)(=O)[O-])/C#N.[K+]

InChI

InChI=1S/C12H18N2O5S3.K/c1-21(15,16)11(10-13)4-5-12-14(7-8-20-12)6-2-3-9-22(17,18)19;/h4-5H,2-3,6-9H2,1H3,(H,17,18,19);/q;+1/p-1/b11-4+,12-5+;