potassium 4-[(E)-2-[4-acetyloxy-3-(2-methylpropoxycarbonyl)phenyl]ethenyl]benzenesulfonate

Systemtic Name: potassium 4-[(E)-2-[4-acetyloxy-3-(2-methylpropoxycarbonyl)phenyl]ethenyl]benzenesulfonate Openeye Name: potassium 4-[(E)-2-(4-acetoxy-3-isobutoxycarbonyl-phenyl)vinyl]benzenesulfonate CAS Name: potassium 4-[(E)-2-[4-acetyloxy-3-[2-methylpropoxy(oxo)methyl]phenyl]ethenyl]benzenesulfonate IUPAC Name: potassium 4-[(E)-2-[4-acetyloxy-3-(2-methylpropoxycarbonyl)phenyl]ethenyl]benzenesulfonate Traditional Name: potassium 4-[(E)-2-(4-acetoxy-3-isobutoxycarbonyl-phenyl)vinyl]besylate Formula: C21H21KO7S MolecularWeight: 456.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)[O-])OC(=O)C.[K+]

Isomeric SMILES

CC(C)COC(=O)C1=C(C=CC(=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)[O-])OC(=O)C.[K+]

InChI

InChI=1S/C21H22O7S.K/c1-14(2)13-27-21(23)19-12-17(8-11-20(19)28-15(3)22)5-4-16-6-9-18(10-7-16)29(24,25)26;/h4-12,14H,13H2,1-3H3,(H,24,25,26);/q;+1/p-1/b5-4+;