potassium (E)-3-[(2E)-5-methyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonate

Systemtic Name: potassium (E)-3-[(2E)-5-methyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonate Openeye Name: potassium (E)-3-[(2E)-2-acetonylidene-5-methyl-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonate CAS Name: potassium (E)-3-[(2E)-5-methyl-2-(2-oxopropylidene)-1,3-benzothiazol-3-yl]-1-propene-1-sulfonate IUPAC Name: potassium (E)-3-[(2E)-5-methyl-2-(2-oxopropylidene)-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonate Traditional Name: potassium (E)-3-[(2E)-2-acetonylidene-5-methyl-1,3-benzothiazol-3-yl]prop-1-ene-1-sulfonate Formula: C14H14KNO4S2 MolecularWeight: 363.49356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=CC(=O)C)N2CC=CS(=O)(=O)[O-].[K+]

Isomeric SMILES

CC1=CC2=C(C=C1)S/C(=C/C(=O)C)/N2C/C=C/S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C14H15NO4S2.K/c1-10-4-5-13-12(8-10)15(6-3-7-21(17,18)19)14(20-13)9-11(2)16;/h3-5,7-9H,6H2,1-2H3,(H,17,18,19);/q;+1/p-1/b7-3+,14-9+;