potassium 4-[(E)-2-(3-methoxycarbonyl-4-oxidanyl-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: potassium 4-[(E)-2-(3-methoxycarbonyl-4-oxidanyl-phenyl)ethenyl]benzenesulfonic acid Openeye Name: potassium 4-[(E)-2-(4-hydroxy-3-methoxycarbonyl-phenyl)vinyl]benzenesulfonic acid CAS Name: potassium 4-[(E)-2-(4-hydroxy-3-methoxycarbonylphenyl)ethenyl]benzenesulfonic acid IUPAC Name: potassium 4-[(E)-2-(4-hydroxy-3-methoxycarbonylphenyl)ethenyl]benzenesulfonic acid Traditional Name: potassium 4-[(E)-2-(3-carbomethoxy-4-hydroxy-phenyl)vinyl]besylic acid Formula: C16H14KO6S+ MolecularWeight: 373.44206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O6S.K/c1-22-16(18)14-10-12(6-9-15(14)17)3-2-11-4-7-13(8-5-11)23(19,20)21;/h2-10,17H,1H3,(H,19,20,21);/q;+1/b3-2+;